SCHEMBL4011508

SCHEMBL4011508

Oc1ccnc(N=Nc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GLO1 Q04760 1/20 0.44
MAPT P10636 5/20 0.41
MAPK1 P28482 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C9 P11712 2/20 0.41
NFKB1 P19838 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 2/20 0.41
HIF1A Q16665 2/20 0.41
ALOX15 P16050 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3079314 0.78 MAOA (0.61) MEN1KMT2ANPC1ALDH1A1TRPA1
SCHEMBL3079313 0.78 MAOA (0.61) MEN1KMT2ANPC1ALDH1A1TRPA1
SCHEMBL14126047 0.73 MEN1 (0.44) MEN1KMT2ANPC1ALDH1A1TRPA1
SCHEMBL28864029 0.70
Azobenzene SCHEMBL182577 0.69 ALDH1A1 (0.92) MEN1KMT2ANPC1ALDH1A1TRPA1
Azobenzene SCHEMBL182578 0.69 ALDH1A1 (0.92) MEN1KMT2ANPC1ALDH1A1TRPA1
Azobenzene SCHEMBL28281591 0.67 ALDH1A1 (0.86) MEN1KMT2ANPC1ALDH1A1TRPA1
Azobenzene SCHEMBL11878769 0.67 ALDH1A1 (1.00) MEN1KMT2ANPC1ALDH1A1TRPA1
Azobenzene SCHEMBL6562161 0.67 ALDH1A1 (1.00) MEN1KMT2ANPC1ALDH1A1TRPA1
Azobenzene SCHEMBL11124477 0.67 ALDH1A1 (1.00) MEN1KMT2ANPC1ALDH1A1TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240035-A1 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS O'DONNELL MICHAEL E 2009-09-24 US disclosed
US-7557184-B2 Isolated staphylococcus DNAX subunit and use thereof THE ROCKEFELLER UNIVERSITY (US) 2009-07-07 US disclosed
US-20090123911-A9 ISOLATED STAPHYLOCOCCUS DNAX SUBUNIT AND USE THEREOF O'DONNELL MICHAEL E 2009-05-14 US disclosed
US-20090004675-A1 Method of Identifying Compounds for Bacterial Growth Modulation THE ROCKEFELLER UNIVERSITY (US) 2009-01-01 US disclosed
US-7432365-B1 DNA molecules encoding beta clamp proteins of gram positive bacteria THE ROCKEFELLER UNIVERSITY 2008-10-07 US disclosed
EP-1816213-A2 Novel DNA polymerase III holoenzyme delta subunit nucleic acid molecules and proteins Replidyne, Inc. (US) 2007-08-08 EP disclosed
WO-2006052746-A2 METHOD OF IDENTIFYING COMPOUNDS FOR BACTERIAL GROWTH MODULATION THE ROCKEFELLER UNIVERSITY (US) 2006-05-18 WO disclosed
EP-1301631-A4 NOVEL DNA POLYMERASE III HOLOENZYME DELTA SUBUNIT NUCLEIC ACID MOLECULES AND PROTEINS REPLIDYNE INC (US) 2005-04-13 EP disclosed
US-20030219737-A1 Novel DNA polymerase III holoenzyme delta subunit nucleic acid molecules and proteins REPLIDYNE, INC. 2003-11-27 US disclosed
US-20030129633-A1 DNA replication proteins of Gram positive bacteria and their use to screen for chemical inhibitors O'DONNELL MICHAEL E (US) 2003-07-10 US disclosed
WO-2002034936-A9 NOVEL S. PYOGENES DNA POLYMERASE III HOLOENZYME NUCLEIC ACID MOLECULES AND PROTEINS REPLIDYNE INC (US) 2003-04-17 WO disclosed
EP-1301631-A1 NOVEL DNA POLYMERASE III HOLOENZYME DELTA SUBUNIT NUCLEIC ACID MOLECULES AND PROTEINS Replidyne, Inc. (US) 2003-04-16 EP disclosed
EP-1056763-A4 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS UNIV ROCKEFELLER (US) 2003-03-26 EP disclosed
WO-2002034936-A2 NOVEL S. PYOGENES DNA POLYMERASE III HOLOENZYME NUCLEIC ACID MOLECULES AND PROTEINS REPLIDYNE, INC. (US) 2002-05-02 WO disclosed
WO-2002006532-A1 NOVEL DNA POLYMERASE III HOLOENZYME DELTA SUBUNIT NUCLEIC ACID MOLECULES AND PROTEINS REPLIDYNE, INC. (US) 2002-01-24 WO disclosed
WO-2001009164-A2 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 2001-02-08 WO disclosed
EP-1056763-A1 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 2000-12-06 EP disclosed
WO-1999037661-A9 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS UNIV ROCKEFELLER (US) 1999-12-02 WO disclosed
WO-1999037661-A1 DNA REPLICATION PROTEINS OF GRAM POSITIVE BACTERIA AND THEIR USE TO SCREEN FOR CHEMICAL INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 1999-07-29 WO disclosed