SCHEMBL4649657

SCHEMBL4649657

[CH2]CCc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR6 P50406 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
AKR1C3 P42330 2/20 0.37
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
RAB9A P51151 1/20 0.37
NOD1 Q9Y239 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL698195 0.85 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL31510169 0.83 TSHR (0.50) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL27534239 0.81 GRM2 (0.45) ALDH1A1HSD17B10HTR6SMN1; SMN2NPC1
SCHEMBL31319048 0.81 KAT6A (0.50) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL314472 0.81 TSHR (0.48) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL10034885 0.81 HTR6 (0.67) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL331257 0.81 KAT6A (0.50) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL21726593 0.80 TSHR (0.55) TSHRALDH1A1HSD17B10TDP1HTR6
SCHEMBL28760347 0.80 PSIP1 (0.48) TSHRALDH1A1HTR6SMN1; SMN2NPC1
SCHEMBL28032990 0.80 KAT6A (0.49) TSHRALDH1A1HSD17B10TDP1HTR6

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 15 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
EP-1086180-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 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
WO-1999064520-A1 TRISAZO AND POLYAZO DYES AND THE MIXTURES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO 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
EP-0798347-A1 Reactive monoazo dyes with a diazo compound derived from 5-substituted sulfanilic acid BASF AKTIENGESELLSCHAFT (DE) 1997-10-01 EP disclosed