SCHEMBL8540731

SCHEMBL8540731

Cn1c2ccccc2c2ccc(C(C)(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR3 P46089 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ENPP2 Q13822 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL8542491 0.81 PSEN1 (0.50) CYP3A4CYP2C19HTTL3MBTL1POLB
SCHEMBL8540088 0.77 PSEN1 (0.46) HPGDALDH1A1HSD17B10MAPTCYP3A4
SCHEMBL31285478 0.75 ENPP2 (0.36) KIF11NPC1RAB9ARXRAENPP2
SCHEMBL8540926 0.75 KIF11 (0.40) KIF11KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8545653 0.75 KDM4E (0.44) KIF11KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5751159 0.74 ACSS2 (0.39) KDM4ENPC1RAB9ASIRT2
SCHEMBL13053078 0.73 CYP11B1 (0.42) TSHRCYP3A4CYP2C19ENPP2MEN1
SCHEMBL2918068 0.73 CYP19A1 (0.39) KIF11TSHRCYP3A4CYP2C19MEN1
SCHEMBL31359426 0.73 CYP2C19 (0.43) KIF11KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3755263 0.73 CYP2C19 (0.43) KIF11KDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820989-A1 IMIDAZOLE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-01-28 EP disclosed