SCHEMBL7641411

SCHEMBL7641411

N#CCCN(CCOS(=O)(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MLYCD O95822 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL7638491 0.88 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL7639671 0.84 ALDH1A1 (0.40) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL11039782 0.82 ALDH1A1 (0.39) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL10795140 0.81 HSD17B10 (0.48) USP2HSD17B10MLYCDMEN1KMT2A
SCHEMBL11042269 0.79 ALDH1A1 (0.37) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL2323987 0.79 USP2 (0.53) USP2HSD17B10MLYCDMEN1KMT2A
SCHEMBL7636019 0.79 TSHR (0.43) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL7639159 0.79 TP53 (0.41) USP2HSD17B10MEN1KMT2APOLB
SCHEMBL11038710 0.78 ESR1 (0.45) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL11041392 0.78 TSHR (0.46) HTTSMN1; SMN2LMNAKDM4E

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-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
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 — — US disclosed
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