SCHEMBL9645111

SCHEMBL9645111

O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)c(S(=O)(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.57
▸ CYP1A2 P05177 4/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2C19 P33261 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CSNK2A1 P68400 1/20 0.55
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ GLO1 Q04760 1/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ ATIC P31939 2/20 0.44
▸ HIF1A Q16665 2/20 0.44

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
Phosphoric Acid SCHEMBL10869622 0.85 MAPT (0.47) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL27824537 0.83 PRMT1 (0.58) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL14680452 0.82 ALDH1A1 (0.55) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL24187595 0.82 ALDH1A1 (0.55) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL5356451 0.81 ALDH1A1 (0.53) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL5356454 0.81 ALDH1A1 (0.53) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL10882817 0.80 PHLPP2 (0.47) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL11819863 0.80 ATIC (0.59) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL31661136 0.80 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HSD17B10TSHR
SCHEMBL11152363 0.79 PHLPP2 (0.47) PRMT1CYP1A2CYP2C9CYP2C19HSD17B10

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-5126329-A Diagnosis of kidney disorders NITTO BOSEKI CO., LTD. (JP) 1992-06-30 — — US disclosed
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