SCHEMBL1737090

SCHEMBL1737090

Cc1c(C)n(CC2CC2)c2c(COc3ccc(F)cc3F)nccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35

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 SCHEMBL1736424 0.99 RAB9A (0.39) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL1737252 0.86 RAB9A (0.39) RAB9ANPC1KMT2AMEN1FFAR1
Hydrochloric Acid SCHEMBL1736956 0.85 RAB9A (0.38) RAB9ANPC1KMT2AMEN1FFAR1
SCHEMBL1737571 0.85 CYP1A2 (0.41) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL1736040 0.84 L3MBTL1 (0.36) RAB9ANPC1KMT2AMEN1GRIN1
SCHEMBL1736996 0.84 RAB9A (0.38) RAB9ANPC1KMT2AMEN1FFAR1
Hydrochloric Acid SCHEMBL1737480 0.84 CYP1A2 (0.40) RAB9ANPC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1736759 0.83 L3MBTL1 (0.35) RAB9ANPC1KMT2AMEN1GRIN1
Hydrochloric Acid SCHEMBL1737972 0.83 RAB9A (0.37) RAB9ANPC1KMT2AMEN1FFAR1
SCHEMBL1736802 0.83 L3MBTL1 (0.39) RAB9AKMT2AMEN1CYP1A2CYP3A4

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