SCHEMBL30411362

SCHEMBL30411362

CNS(=O)(=O)c1ccc(N)c(-c2nnn(Cc3ccccc3F)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ PARG Q86W56 2/20 0.37

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
SCHEMBL20779824 1.00 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22635667 0.84 ATM (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29901815 0.84 ATM (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20766317 0.81 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20779713 0.80 TEAD1 (0.52) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL25790320 0.79 TEAD1 (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20779823 0.79 MAPT (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21054687 0.79 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20766214 0.76 ACLY (0.38) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL29438852 0.76 ACLY (0.38) SMN1; SMN2ALDH1A1CA12CA1CA2

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-111542315-B Benzosulfonyl compounds 维瓦斯治疗公司 2023-05-12 — — CN disclosed
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