SCHEMBL11426573

SCHEMBL11426573

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TIMP3 P35625 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CCR6 P51684 1/20 0.41

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
SCHEMBL11427817 0.90 HSD17B10 (0.50) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1
SCHEMBL11440731 0.89 HSD17B10 (0.49) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1
SCHEMBL11433031 0.88 HDAC1 (0.48) HSD17B10HDAC1SMN1; SMN2MEN1KMT2A
SCHEMBL11782093 0.85 HSD17B10 (0.56) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1
SCHEMBL10909467 0.84 KMT2A (0.50) HSD17B10MEN1KMT2AMAPTALDH1A1
SCHEMBL11349457 0.84 KMT2A (0.58) HSD17B10MEN1KMT2AMAPTALDH1A1
SCHEMBL11436219 0.84 HSD17B10 (0.52) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1
SCHEMBL11431004 0.83 HDAC1 (0.53) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1
SCHEMBL11428112 0.82 MEN1 (0.41) HSD17B10HDAC1MEN1KMT2AMAPT
SCHEMBL11425883 0.82 MEN1 (0.41) HSD17B10HDAC1SMN1; SMN2NPSR1MEN1

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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