SCHEMBL1736202

SCHEMBL1736202

COc1cccc(Cn2c(C)c(C)c3ccnc(CNc4ccc(F)cc4)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TP53 P04637 1/20 0.40
ROCK2 O75116 3/20 0.40

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
Hydrochloric Acid SCHEMBL1736590 0.99 KCNH3 (0.45) KCNH3CCNT1CDK9MAPTMEN1
SCHEMBL1738584 0.89 CCNT1 (0.40) CCNT1CDK9MAPTLMNAALDH1A1
SCHEMBL1737245 0.89 MAPK1 (0.38) KCNH3CCNT1CDK9MAPTMEN1
Hydrochloric Acid SCHEMBL1735321 0.89 CCNT1 (0.40) CCNT1CDK9MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL1737763 0.88 KCNH3 (0.37) KCNH3MAPTMEN1KMT2ALMNA
SCHEMBL1736758 0.87 MAOB (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1738229 0.86 MAPT (0.46) KCNH3MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1735348 0.86 MAOB (0.43) MAPTMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL1736638 0.85 MAPT (0.45) KCNH3MAPTMEN1KMT2ALMNA
SCHEMBL1737964 0.83 CYP1A2 (0.41) MAPTMEN1KMT2ALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed