SCHEMBL7639671

SCHEMBL7639671

Cc1cccc(N(CCC#N)CCOS(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLQ O75417 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL9873109 0.90 RECQL (0.41) ALDH1A1MEN1KMT2AGFERRAB9A
SCHEMBL7642077 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL7641411 0.84 USP2 (0.45) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL9872251 0.83 CYP3A4 (0.45) ALDH1A1KDM4EMEN1KMT2AGFER
SCHEMBL8926268 0.83 GFER (0.43) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL19941543 0.82 LMNA (0.38) ALDH1A1KDM4EKMT2AGFERRAB9A
SCHEMBL7639159 0.82 TP53 (0.41) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL10997339 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL11433585 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1THRBKMT2A
SCHEMBL9300167 0.79 GFER (0.42) ALDH1A1KDM4EMEN1THRBKMT2A

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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