SCHEMBL16950686

SCHEMBL16950686

[CH2]C(C)c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.62
▸ TSHR P16473 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GLA P06280 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 4/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ ALDH1A1 P00352 4/20 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
SCHEMBL12767842 0.85 TDP1 (0.67) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL27576224 0.83 ALDH1A1 (0.53) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL992241 0.83 ALDH1A1 (0.53) TDP1TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL16961100 0.83 TDP1 (0.58) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL24440376 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL16971066 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL6676584 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL29238525 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAHSD17B10
Hydrochloric Acid SCHEMBL29238521 0.81 TDP1 (0.60) TDP1TSHRSMN1; SMN2GLAHSD17B10
SCHEMBL27582724 0.81 TDP1 (0.60) TDP1TSHRSMN1; SMN2GLAHSD17B10

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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