SCHEMBL4651022

SCHEMBL4651022

CCC[CH]c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.52
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ NT5E P21589 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2D6 P10635 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ S1PR3 Q99500 1/20 0.34
▸ ADORA2A P29274 4/20 0.33
▸ ADORA2B P29275 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL8471032 0.86 TDP1 (0.57) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL27719497 0.82 ENPP2 (0.43) AKR1C3
SCHEMBL5358981 0.78 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2A
SCHEMBL226161 0.74 TDP1 (0.64) TDP1LMNAALDH1A1TSHRNT5E
Butanal SCHEMBL28571294 0.74 ALDH1A1 (0.44) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL1247914 0.73 POLB (0.44) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL1867505 0.73 POLB (0.44) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL7739850 0.73 TDP1 (0.61) TDP1LMNAALDH1A1TSHRNT5E
Water SCHEMBL2368741 0.73 TDP1 (0.61) TDP1LMNAALDH1A1TSHRNT5E
SCHEMBL5641505 0.73 ALDH1A1 (0.50) LMNAALDH1A1TSHRSMN1; SMN2CYP2D6

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
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 — — EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 — — US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 — — EP disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 — — EP 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
EP-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 — — EP disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 — — EP disclosed
EP-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 — — EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 — — WO disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 — — WO disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 — — WO disclosed
WO-1997043345-A1 REACTIVE AZO DYES WITH A REACTIVE-ANCHOR-CARRYING DIAZO COMPONENT FROM THE SERIES OF M-PHENYLENE DIAMINE ZAMPONI, ANDREA 1997-11-20 — — WO disclosed
EP-0798347-A1 Reactive monoazo dyes with a diazo compound derived from 5-substituted sulfanilic acid BASF AKTIENGESELLSCHAFT (DE) 1997-10-01 — — EP disclosed
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