SCHEMBL9367254

SCHEMBL9367254

COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1C2=Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
GALR3 O60755 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL7983607 0.78 HTR3E (0.43) KDM4ECYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3294513 0.72 AKR1C3 (0.56) RAB9AAKR1C3AKR1C2IDO1TDO2
SCHEMBL9372014 0.71 NFE2L2 (0.44) CYP3A4MAPTMEN1ALOX15MAPK1
SCHEMBL10451549 0.69 MEN1 (0.53) KDM4ECYP1A2CYP3A4MAPTCYP2C9
SCHEMBL4532731 0.65 CYP3A4 (0.53) KDM4ECYP3A4MAPT
SCHEMBL13518527 0.65 CYP3A4 (0.53) KDM4ECYP3A4MAPT
SCHEMBL6808918 0.65 AKR1C3 (0.55) KDM4ECYP2C19MEN1KMT2AAKR1C3
SCHEMBL4350401 0.65 CYP1A1 (0.47) KDM4ECYP3A4MAPTCYP2C19RAB9A
SCHEMBL21555188 0.65 PTGS2 (0.49) MAPTRAB9AMEN1MAPK1KMT2A
SCHEMBL29775476 0.65 CYP1A1 (0.47) KDM4ECYP3A4MAPTCYP2C19RAB9A

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-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed