SCHEMBL7639159

SCHEMBL7639159

CC(=O)Nc1cccc(N(CCC#N)CCOS(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL9874122 0.91 POLB (0.43) HSD17B10USP2ALDH1A1MEN1KMT2A
SCHEMBL10383523 0.88 HSD17B10 (0.50) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL29995761 0.86 HSD17B10 (0.43) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL28604505 0.86 HSD17B10 (0.43) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL7643742 0.85 POLB (0.44) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL11333504 0.85 HSD17B10 (0.42) HSD17B10USP2ALDH1A1MEN1KMT2A
SCHEMBL7643415 0.83 SMN1; SMN2 (0.38) TP53HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11880890 0.83 MEN1 (0.42) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL11153368 0.83 HSD17B10 (0.46) TP53HSD17B10USP2ALDH1A1MEN1
SCHEMBL11521629 0.83 HSD17B10 (0.46) TP53HSD17B10USP2ALDH1A1MEN1

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
US-6464734-B1 USED FOR DYEING OR PRINTING HYDROXYL AND/OR CARBOXAMIDO CONTAINING MATERIALS SUCH AS POLYVINYL ALCOHOL, POLYURETHANES AND POLYAMIDES; WASHFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-10-15 — — US disclosed
EP-1134260-A1 Deep black dye mixtures of fiber-reactive azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-19 — — EP disclosed
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