SCHEMBL31240185

SCHEMBL31240185

CC(C)c1ncncc1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL8181677 1.00 CYP17A1 (0.33) CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL29652983 0.77 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL19743786 0.77 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL16815471 0.77 EGFR (0.30)
SCHEMBL22661740 0.74 CYP17A1 (0.33) CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL2742981 0.74 CYP11B1 (0.35) CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL4546362 0.74 P2RX3 (0.36) CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL2888567 0.74 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL2611027 0.73 GABRA1 (0.33) CYP17A1CYP11B1CYP11B2MALT1
SCHEMBL2742996 0.73 MALT1 (0.38) CYP17A1CYP11B1CYP11B2MALT1

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
CN-119053601-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-11-29 CN disclosed