SCHEMBL31037068

SCHEMBL31037068

COc1nn(-c2ccc(C(F)(F)F)cc2)c2c1cc(O)c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ CASR P41180 2/20 0.41
▸ KHK P50053 2/20 0.39
▸ MAT2A P31153 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL28719142 1.00 CYP11B1 (0.41) CYP11B1CYP11B2CASRKHKMAT2A
SCHEMBL31037099 0.86 CASR (0.42) CYP11B1CYP11B2CASRKHKMAT2A
SCHEMBL28715241 0.86 CASR (0.42) CYP11B1CYP11B2CASRKHKMAT2A
SCHEMBL31037087 0.86 POLB (0.40) CYP11B1CYP11B2KHKRAB9APOLB
SCHEMBL31037105 0.86 NPC1 (0.44) CYP11B1CYP11B2KHKRAB9AKDM4E
SCHEMBL31037098 0.77 KHK (0.42) CYP11B1CYP11B2KHKMAPTRAB9A
SCHEMBL31037089 0.74 KHK (0.42) CYP11B1CYP11B2KHKRAB9A
SCHEMBL25258035 0.73 CYP11B2 (0.43) CYP11B1CYP11B2MAPTNPSR1POLB
SCHEMBL29402177 0.73 CYP11B2 (0.43) CYP11B1CYP11B2MAPTNPSR1POLB
SCHEMBL31037061 0.72 MAPT (0.41) MAPTL3MBTL1KDM4EPOLBALOX5

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-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN disclosed
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