SCHEMBL18218125

SCHEMBL18218125

Cc1cc(S(=O)(=O)O)cc2ccc(N=Nc3cc([N+](=O)[O-])ccc3O)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ ENPP2 Q13822 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL13763497 0.86 PRMT1 (0.54) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL14355360 0.80 ENPP2 (0.39) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL29702427 0.76 ENPP2 (0.55) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL18218115 0.75 ALDH1A1 (0.49) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL14580406 0.74 HPGD (0.47) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL14641113 0.73 MEN1 (0.61) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL32682198 0.73 MEN1 (0.61) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL30371519 0.73 MEN1 (0.61) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL18218114 0.73 MAPK1 (0.49) CYP1A2CYP2C9HPGDTSHRCYP3A4
SCHEMBL11313380 0.72 CYP1A2 (0.61) CYP1A2CYP2C9HPGDTSHRCYP3A4

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-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
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