SCHEMBL8335086

SCHEMBL8335086

Cc1cc(OCCBr)cc(-c2ccccc2F)c1C(=O)c1csc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
APP P05067 2/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAD Q92934 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8334595 0.94 CNR2 (0.39) CNR2APPBCL2BCL2L1MCL1
SCHEMBL8339938 0.90 PRKCZ (0.40) CNR2APPBCL2BCL2L1MCL1
SCHEMBL8340536 0.90 CNR2 (0.36) CNR2APPBCL2BCL2L1MCL1
SCHEMBL8334436 0.89 MCL1 (0.39) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8336646 0.88 CNR2 (0.35) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8339556 0.88 MAPT (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8338716 0.88 HTR1A (0.40) CNR2MCL1MAPTMAOBHTR1A
SCHEMBL8339168 0.87 MCL1 (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8340220 0.85 PRKCZ (0.41) MAPTHTR1ACYP1A2CYP2C19ERN1
SCHEMBL8339230 0.85 TUBB4A (0.40) CNR2MCL1ALDH1A1MAPTHTR1A

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