SCHEMBL4155176

SCHEMBL4155176

c1ccc(NNc2ncccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
CTSD P07339 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 2/20 0.45
PIM1 P11309 2/20 0.45
MAPK1 P28482 2/20 0.45
PRKCD Q05655 2/20 0.45
CHEK1 O14757 1/20 0.45
IKBKB O14920 1/20 0.45
AURKA O14965 1/20 0.45
PDPK1 O15530 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
LYN P07948 1/20 0.45
KIT P10721 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL9736081 0.81 TDP1 (0.55) ALDH1A1CTSDTDP1NPC1RAB9A
Hydrazobenzene SCHEMBL51179 0.78 ALDH1A1 (1.00) ALDH1A1CTSDTDP1MAPTMAPK1
SCHEMBL19737269 0.78 ALDH1A1 (1.00) ALDH1A1CTSDTDP1MAPTMAPK1
SCHEMBL911 0.77 AURKA (0.63) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL15968669 0.77 AURKA (0.63) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL19418969 0.76 ALDH1A1 (0.55) ALDH1A1CTSDTDP1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL28789700 0.75 MAPT (0.61) ALDH1A1TDP1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6820971 0.75 MAPK1 (0.61) ALDH1A1TDP1NPC1RAB9AMAPT
SCHEMBL6370265 0.75 AURKA (0.61) ALDH1A1TDP1NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL28905870 0.75 ALDH1A1 (0.52) ALDH1A1CTSDTDP1NPC1RAB9A

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 12 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
WO-2006052746-A2 METHOD OF IDENTIFYING COMPOUNDS FOR BACTERIAL GROWTH MODULATION THE ROCKEFELLER UNIVERSITY (US) 2006-05-18 WO 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
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-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