SCHEMBL8334595

SCHEMBL8334595

Cc1cc(OCCBr)cc(-c2cccc(F)c2F)c1C(=O)c1csc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KAT6A Q92794 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL8335086 0.94 CNR2 (0.36) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8340536 0.93 CNR2 (0.36) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8338716 0.91 HTR1A (0.40) CNR2MCL1MAPTMEN1KMT2A
SCHEMBL8334436 0.86 MCL1 (0.39) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8339938 0.86 PRKCZ (0.40) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8339556 0.85 MAPT (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8336646 0.85 CNR2 (0.35) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8339168 0.85 MCL1 (0.38) CNR2BCL2BCL2L1MCL1BAD
SCHEMBL8339230 0.84 TUBB4A (0.40) CNR2MCL1ALDH1A1MAPTMEN1
SCHEMBL8340220 0.83 PRKCZ (0.41) MAPTMEN1KMT2ANPSR1HTR1A

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