SCHEMBL28531349

SCHEMBL28531349

COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc([N+](=O)[O-])s3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ EPHX2 P34913 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ RPS6KB1 P23443 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ CDK5 Q00535 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL28519087 0.89 MEN1 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28908921 0.88 MEN1 (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28525534 0.87 RAB9A (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28531250 0.87 KMT2A (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28531603 0.87 SMN1; SMN2 (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28524552 0.81 KMT2A (0.62) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28518118 0.74 KMT2A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30597555 0.74 MAPT (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28573043 0.74 MEN1 (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12081852 0.72 MAPT (0.74) RAB9ANPC1SMN1; SMN2GAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN claimed
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN disclosed
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