SCHEMBL1736758

SCHEMBL1736758

COc1cccc(Cn2c(C)c(C)c3ccnc(COc4ccc(F)cc4)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 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 SCHEMBL1735348 0.99 MAOB (0.43) MAOBMAPTTHRBCYP1A2CYP3A4
SCHEMBL1737977 0.93 MAOB (0.43) MAOBMAPTTHRBALDH1A1PIK3R1
Hydrochloric Acid SCHEMBL1738469 0.92 MAOB (0.42) MAOBMAPTTHRBPIK3R1PIK3CA
SCHEMBL1737139 0.91 MAPT (0.45) MAOBMAPTTHRBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736158 0.90 MAPT (0.44) MAOBMAPTTHRBCYP1A2CYP3A4
SCHEMBL1735940 0.87 DYRK1A (0.47) MAPTCYP1A2CYP3A4CYP2C9LMNA
SCHEMBL1736202 0.87 KCNH3 (0.44) MAPTTHRBCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736586 0.86 DYRK1A (0.47) MAPTCYP1A2CYP3A4CYP2C9LMNA
SCHEMBL1736156 0.86 MAPT (0.42) MAOBMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1737964 0.86 CYP1A2 (0.41) MAPTTHRBCYP1A2CYP3A4CYP2C9

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