SCHEMBL13852255

SCHEMBL13852255

Cc1ccc(SOc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NSD2 O96028 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ DNMT1 P26358 1/20 0.31
▸ MAPK1 P28482 3/20 0.30
▸ MAPT P10636 3/20 0.30
▸ LMNA P02545 3/20 0.30
▸ HPGD P15428 2/20 0.30
▸ ALOX15 P16050 2/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL13852210 0.89 CYP1A2 (0.44) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL6123917 0.82 CYP1A2 (0.61) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL10050900 0.80 CYP1A2 (0.42) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL14402856 0.75 HSD17B10 (0.40) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL1485994 0.71 ALDH1A1 (0.37) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL29682975 0.71 ALDH1A1 (0.37) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL6123763 0.71 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL713434 0.70 CASP6 (0.55) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1755228 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30052645 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136720-A1 Azo Compound, Ink Composition, Recording Method and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-28 — — US disclosed
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