SCHEMBL6029431

SCHEMBL6029431

C=CCS(=O)(=O)c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ MAPT P10636 5/20 1.00
▸ LMNA P02545 4/20 1.00
▸ HTT P42858 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ L3MBTL1 Q9Y468 3/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ PSMB8 P28062 1/20 0.58
▸ PSMB5 P28074 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ CA14 Q9ULX7 1/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ TP53 P04637 2/20 0.49
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ AKR1B1 P15121 1/20 0.45

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
SCHEMBL14138446 0.81 ALDH1A1 (0.68) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL3595617 0.80 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30149949 0.80 ALDH1A1 (0.67) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL9636277 0.79 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28000437 0.79 PSMB8 (0.69) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30732411 0.79 PSMB8 (0.69) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7905772 0.79 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7646253 0.79 ALDH1A1 (0.65) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL10700457 0.78 ALDH1A1 (0.63) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL3204080 0.78 HTT (0.63) ALDH1A1MAPTLMNAHTTKMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488100-A METALLIZED DYES FOR PRINTING AND FIBER REACTIVE DYES FOR CELLULOSE BASF AKTIENGESELLSCHAFT (DE) 1996-01-30 — — US claimed
CN-102791803-A Composition for ultraviolet absorbing member and ultraviolet absorbing member using same SUMITOMO SEIKA CHEMICALS 2012-11-21 — — CN disclosed
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 — — US disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 — — US disclosed
EP-1392777-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-03 — — EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
WO-2002088257-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-11-07 — — WO disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 — — US disclosed
US-5929217-A FOR DYEING OR PRINTING SUBSTRATES HAVING HYDROXYL GROUPS OR NITROGEN ATOMS BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 — — US disclosed
US-5594145-A Process for the preparation of 2(3H)-benzothiazolones HOECHST AG (DE) 1997-01-14 — — US disclosed
EP-0039483-B1 PROCESS FOR THE PREPARATION OF 2-HYDROXY-BENZOTHIAZOLES HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-21 — — EP disclosed
US-4370483-A ACIDIFICATION TO EFFECT CYCLIZATION OF AN O-MERCAPTO-N-PHENYLUREA OBTAINED BY HYDROLYSIS OF A 2-HYDROXYBENZOTHIAZOLE HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-25 — — US disclosed
EP-0039483-A1 Process for the preparation of 2-hydroxy-benzothiazoles HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 — — EP disclosed
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