SCHEMBL10050900

SCHEMBL10050900

Cc1ccc(COc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP19A1 P11511 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KEAP1 Q14145 4/20 0.35
▸ NFE2L2 Q16236 4/20 0.35
▸ PARP10 Q53GL7 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
SCHEMBL16153624 0.89 CYP1A2 (0.43) CYP1A2MEN1KMT2ACYP19A1CA1
SCHEMBL6123917 0.81 CYP1A2 (0.61) CYP1A2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL13852255 0.80 CYP1A2 (0.43) CYP1A2KMT2AALDH1A1CYP2C19MAPT
SCHEMBL29682975 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1CYP2C19NPC1RECQL
SCHEMBL1485994 0.77 ALDH1A1 (0.37) CYP1A2ALDH1A1CYP2C19NPC1RECQL
SCHEMBL10050901 0.75 SENP2 (0.38) CYP1A2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL16153638 0.75 SENP2 (0.38) CYP1A2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL14402856 0.74 HSD17B10 (0.40) CYP1A2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL6123763 0.70 CYP1A2 (0.62) CYP1A2MEN1KMT2AALDH1A1CYP2C19
SCHEMBL713434 0.70 CASP6 (0.55) MEN1KMT2AALDH1A1CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140299020-A1 WATER-BASED BLACK INK COMPOSITION, INKJET RECORDING METHOD USING SAME, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-09 — — US disclosed
US-20120050382-A1 INK JET INK COMPOSITION, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS SONY CORPORATION (JP) 2012-03-01 — — US disclosed
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