SCHEMBL693186

SCHEMBL693186

O=C1C=C(Cc2cccc(S(=O)(=O)O)c2)N=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NAPRT Q6XQN6 1/20 0.33
HTR6 P50406 1/20 0.32
MMP2 P08253 1/20 0.32
SNCA P37840 2/20 0.31
NPC1 O15118 1/20 0.31
TNF P01375 1/20 0.31
RAB9A P51151 1/20 0.31
NOD1 Q9Y239 1/20 0.31
RHOA P61586 1/20 0.31
CASP6 P55212 1/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL21726593 0.79 TSHR (0.55) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL9357557 0.72 TSHR (0.39) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL693124 0.71 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL10586812 0.70 TSHR (0.53) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL11413912 0.70 TSHR (0.53) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL24199108 0.69 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL6546793 0.69 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL22124430 0.69 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL331655 0.69 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1MRGPRX4
SCHEMBL698195 0.69 TSHR (0.52) TSHRALDH1A1HSD17B10TDP1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed