SCHEMBL27456790

SCHEMBL27456790

O=[N+]([O-])c1ccc(-c2c(O)ccc3ccccc23)c(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.62
▸ HIF1A Q16665 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KMT2A Q03164 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ CYP2C9 P11712 4/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CSNK2A1 P68400 1/20 0.56
▸ PTPRA P18433 1/20 0.54
▸ PTPRB P23467 1/20 0.54
▸ RAPGEF4 Q8WZA2 1/20 0.54

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
SCHEMBL11313380 0.85 CYP1A2 (0.61) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL11313384 0.85 CYP1A2 (0.61) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL8912216 0.84 CYP1A2 (0.64) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL29259111 0.78 CYP1A2 (0.67) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL6699436 0.77 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL13659231 0.77 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL4075867 0.77 CYP1A2 (1.00) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL107959 0.77 CYP1A2 (0.63) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL107958 0.77 CYP1A2 (0.63) CYP1A2HIF1AALDH1A1KMT2ATDP1
SCHEMBL6699428 0.77 CYP1A2 (0.98) CYP1A2HIF1AALDH1A1KMT2ATDP1

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
CN-1111158-C Process for preparing crystal violet lactone UNIV XIANGTAN (CN) 2003-06-11 — — CN disclosed
CN-1276371-A Process for preparing crystal violet lactone UNIV XIANGTAN (CN) 2000-12-13 — — CN disclosed
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