SCHEMBL11431004

SCHEMBL11431004

Nc1cccc(C(=O)Nc2cc(O)c(S(=O)(=O)O)c3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ TERT O14746 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
SCHEMBL11428577 0.88 HDAC1 (0.51) HDAC1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11440904 0.84 HSD17B10 (0.52) HDAC1SMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL11350051 0.84 KMT2A (0.53) HSD17B10MEN1KMT2AMAPTALDH1A1
SCHEMBL10907651 0.84 NPC1 (0.45) HSD17B10MEN1KMT2AALDH1A1APEX1
SCHEMBL11426573 0.83 HSD17B10 (0.50) HDAC1SMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL11440740 0.82 MEN1 (0.41) HDAC1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11428049 0.82 MEN1 (0.41) HDAC1MEN1KMT2AMAPTALDH1A1
SCHEMBL11433446 0.81 NPC1 (0.60) SMN1; SMN2NPSR1MEN1KMT2AMAPT
SCHEMBL11829001 0.81 SMN1; SMN2 (0.53) HDAC1SMN1; SMN2NPSR1HSD17B10MEN1
SCHEMBL11782093 0.80 HSD17B10 (0.56) HDAC1SMN1; SMN2NPSR1HSD17B10MEN1

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
US-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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