SCHEMBL1737587

SCHEMBL1737587

Cc1[nH]c2c(C(Cc3ccc(C(C)(C)C)cc3)Nc3ccc(F)cc3)nccc2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK14 Q16539 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMO Q99835 1/20 0.32
EGFR P00533 1/20 0.31
LMNA P02545 2/20 0.31
CDK4 P11802 3/20 0.31
CDK2 P24941 3/20 0.31

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 SCHEMBL1735390 0.99 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1736714 0.92 PDE2A (0.34) CYP1A2CYP3A4CYP2C9CYP2C19MAPK14
Hydrochloric Acid SCHEMBL1738281 0.91 PDE2A (0.34) CYP1A2CYP3A4CYP2C9CYP2C19MAPK14
SCHEMBL1738310 0.90 CYP1A2 (0.36) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736913 0.89 CYP1A2 (0.35) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1738138 0.88 CYP1A2 (0.35) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1738232 0.88 CYP1A2 (0.38) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1736170 0.87 CYP1A2 (0.34) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736644 0.87 CYP1A2 (0.38) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1737196 0.83 MAPK13 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19MAPK14

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