SCHEMBL8340639

SCHEMBL8340639

COc1ccc(-c2cc(OCCBr)cc(C)c2C(=O)c2csc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.41
MAPT P10636 3/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 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
SCHEMBL8336035 0.95 CNR2 (0.41) CNR2CNR1MAPTESR1ESR2
SCHEMBL8339168 0.92 MCL1 (0.38) CNR2MAPTESR1ESR2CYP1A2
SCHEMBL8334344 0.91 MAPT (0.38) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL8335888 0.91 C5AR1 (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8336646 0.91 CNR2 (0.35) CNR2MAPTCYP1A2CYP2C19MAOB
SCHEMBL8336090 0.90 MAPT (0.39) CNR2CNR1MAPTESR1ESR2
SCHEMBL8336809 0.89 CNR2 (0.47) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL8339826 0.88 KDM4E (0.42) CNR2CNR1MAPTMEN1KMT2A
SCHEMBL8340220 0.88 PRKCZ (0.41) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL8336077 0.88 MCL1 (0.40) CNR2MAPTCYP1A2CYP2C19MAOB

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
US-5948796-A OSTEOPOROSIS, CANCER, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed