SCHEMBL4452047

SCHEMBL4452047

CN(C(=O)c1ccccc1O)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HMGB1 P09429 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL2417968 0.78 KMT2A (0.49) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL7506759 0.75 GAA (0.47) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL1039579 0.74 POLB (0.66) TSHRALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL207698 0.73 NPC1 (0.44) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL3561735 0.73 DAO (0.43) TSHRALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL1446966 0.73 MEN1 (0.57) TSHRALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7439559 0.72 GAA (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ANAPRT
Hydrochloric Acid SCHEMBL5353440 0.72 NPC1 (0.43) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL207697 0.72 MEN1 (0.40) ALDH1A1SMN1; SMN2MAPTPOLBNPC1
SCHEMBL9850025 0.72 ALOX5 (0.46) TSHRALDH1A1SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 — — US disclosed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 — — EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 — — WO disclosed
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