SCHEMBL1737517

SCHEMBL1737517

COc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
CES2 O00748 1/20 0.47
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
ACHE P22303 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 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 SCHEMBL1736899 0.99 MAPT (0.48) MAPTCES2GRIN1GRIN2BACHE
SCHEMBL1738897 0.91 USP2 (0.48) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL1735606 0.91 MAPT (0.43) MAPTGRIN1GRIN2BLMNAKDM4E
SCHEMBL1738227 0.90 CYP3A4 (0.50) MAPTGRIN1GRIN2BLMNAKDM4E
Hydrochloric Acid SCHEMBL1738700 0.90 USP2 (0.47) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL1738536 0.89 GRIN1 (0.41) MAPTGRIN1GRIN2BLMNAKDM4E
Hydrochloric Acid SCHEMBL1738352 0.89 MAPT (0.43) MAPTGRIN1GRIN2BLMNAKDM4E
Hydrochloric Acid SCHEMBL1736823 0.89 CYP3A4 (0.49) MAPTGRIN1GRIN2BLMNAKDM4E
Hydrochloric Acid SCHEMBL1736852 0.89 GRIN1 (0.40) MAPTGRIN1GRIN2BLMNAKDM4E
SCHEMBL1738241 0.88 FABP4 (0.44) MAPTGRIN1GRIN2BKDM4EMEN1

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