SCHEMBL692013

SCHEMBL692013

C[CH]Cc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
TRPA1 O75762 1/20 0.41
MAOB P27338 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL66833 0.79
SCHEMBL7718087 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL22557798 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL27546725 0.77 MAOB (0.57) ALDH1A1TDP1TSHRHSD17B10MAPT
SCHEMBL9154630 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1MAOBSMN1; SMN2
SCHEMBL1405463 0.76 TP53 (0.59) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL691331 0.76 TAAR1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL1405461 0.76 TP53 (0.59) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL890348 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD17B10
SCHEMBL13278246 0.75 ALDH1A1 (0.63) ALDH1A1MAPK1TDP1TSHRHSD17B10

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
EP-3065722-A2 NUCLEIC ACID NANOSTRUCTURES FOR IN VIVO AGENT DELIVERY Dana-Farber Cancer Institute, Inc. (US) 2016-09-14 EP disclosed
WO-2016077581-A1 ISOSTEVIOL TRIAZOLES AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-05-19 WO disclosed
EP-2935240-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
EP-2935247-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
EP-2935241-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
WO-2015070080-A2 NUCLEIC ACID NANOSTRUCTURES FOR IN VIVO AGENT DELIVERY DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-05-14 WO disclosed
WO-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2014100716-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
EP-2421867-A2 PIPERIDINE INHIBITORS OF JANUS KINASE 3 Auspex Pharmaceuticals, Llc (US) 2012-02-29 EP disclosed
WO-2010123919-A2 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, LLC (US) 2010-10-28 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-1999055664-A1 PREPARATION OF CARBOCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1999-11-04 WO disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
EP-0807118-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1997-11-19 EP disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 WO disclosed