SCHEMBL8568264

SCHEMBL8568264

O=C(Cc1ccccc1)c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PIN1 Q13526 5/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8569505 0.83 POLB (0.47) POLBSMN1; SMN2ALDH1A1CYP1A2TSHR
SCHEMBL8560780 0.82 GAA (0.54) GAASMN1; SMN2ALDH1A1EGFRCYP1A2
SCHEMBL8566078 0.81 PIN1 (0.45) POLBPIN1GAAALDH1A1TSHR
SCHEMBL8560474 0.79 POLB (0.46) POLBSMN1; SMN2ALDH1A1CYP1A2TSHR
SCHEMBL8568499 0.79 POLB (0.46) POLBSMN1; SMN2ALDH1A1CYP1A2TSHR
SCHEMBL8599819 0.79 PLA2G2A (0.44) POLBGAAALDH1A1CYP1A2HTT
SCHEMBL1803483 0.77 ALDH1A1 (0.46) GAAALDH1A1HPGD
SCHEMBL8562154 0.76 POLB (0.43) POLBPIN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8570921 0.75 NPC1 (0.40) POLBGAASMN1; SMN2ALDH1A1TSHR
SCHEMBL8564023 0.75 MAPT (0.44) POLBGAASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed