SCHEMBL3203071

SCHEMBL3203071

Cc1ccc(O)c([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FTO Q9C0B1 1/20 0.43
CSNK2A1 P68400 1/20 0.41
ALOX15 P16050 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNMA1 Q12791 1/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR2 P25025 2/20 0.37

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
SCHEMBL3193969 0.86 TRPA1 (0.46) TRPA1TP53TDP1FTOCSNK2A1
SCHEMBL3181363 0.80 TDP1 (0.37) TP53TDP1ALDH1A1LMNAMEN1
SCHEMBL3204433 0.80 ALOX5 (0.42) TDP1ALOX15HSD17B10ALDH1A1LMNA
Bromide SCHEMBL11360078 0.78 TDP1 (0.35) TP53TDP1ALDH1A1LMNAMEN1
SCHEMBL3197728 0.77 MEN1 (0.44) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL3204685 0.76 TDP1 (0.37) TP53TDP1ALDH1A1LMNAMEN1
SCHEMBL424810 0.76 CYP2A6 (0.37) TP53TDP1ALDH1A1LMNAHPGD
SCHEMBL3200953 0.74 ALDH1A1 (0.43) TRPA1TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL31005107 0.74 ALDH1A1 (0.43) TRPA1TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL3182131 0.74 ACHE (0.48) TDP1ALDH1A1LMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed