SCHEMBL8336646

SCHEMBL8336646

Cc1cc(OCCBr)cc(-c2ccc(F)cc2)c1C(=O)c1csc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
HTR1A P08908 2/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAD Q92934 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCZ Q05513 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 4/20 0.33
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

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
SCHEMBL8339168 0.92 MCL1 (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8340639 0.91 CNR2 (0.41) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8335888 0.91 C5AR1 (0.38) CNR2HTR1ABCL2BCL2L1MCL1
SCHEMBL8335086 0.88 CNR2 (0.36) CNR2HTR1ABCL2BCL2L1MCL1
SCHEMBL8340220 0.88 PRKCZ (0.41) HTR1APRKCZMAPTFFAR4CYP1A2
SCHEMBL8336077 0.88 MCL1 (0.40) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8336090 0.86 MAPT (0.39) CNR2HTR1APRKCZALDH1A1MAPT
SCHEMBL8336035 0.86 CNR2 (0.41) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8334595 0.85 CNR2 (0.39) CNR2HTR1ABCL2BCL2L1MCL1
SCHEMBL8334344 0.85 MAPT (0.38) CNR2BCL2BCL2L1MCL1BAD

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