SCHEMBL8568330

SCHEMBL8568330

Nc1cc(Cc2ccccc2)c([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.44
EGFR P00533 3/20 0.44
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MPO P05164 1/20 0.40
TPO P07202 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPX P11678 1/20 0.40
SNCA P37840 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL24455815 0.78 NOS3 (0.50) EGFRMEN1KMT2ACYP3A4MAPT
SCHEMBL8567785 0.77 PIN1 (0.53) PIN1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL8570918 0.76 ALDH1A1 (0.44) PIN1EGFRMEN1KMT2ACYP3A4
SCHEMBL8562996 0.76 MEN1 (0.52) PIN1EGFRMEN1KMT2ACYP3A4
SCHEMBL8560894 0.76 HTR6 (0.55) EGFRMEN1KMT2ACYP3A4MAPT
SCHEMBL8568601 0.75 ALDH1A1 (0.56) PIN1EGFRCYP19A1MEN1KMT2A
SCHEMBL8567165 0.75 PIN1 (0.40) PIN1EGFRCYP3A4
SCHEMBL8566589 0.74 PIM3 (0.44) EGFRMEN1KMT2ANPC1MAPT
SCHEMBL8568534 0.73 CYP19A1 (0.40) PIN1CYP19A1CYP11B1CYP11B2NPC1
SCHEMBL8562212 0.73 PIN1 (0.46) PIN1EGFRCYP19A1MEN1KMT2A

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