SCHEMBL8569474

SCHEMBL8569474

Nc1cnc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HTR6 P50406 1/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL8568520 0.77 BACE1 (0.56) HTTPOLBSMN1; SMN2MAPTMEN1
SCHEMBL8563126 0.77 CYP19A1 (0.50) POLBSMN1; SMN2KMT2ALMNA
SCHEMBL8566566 0.77 CYP1A2 (0.52) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL8562887 0.77 BACE1 (0.52) HTTPOLBSMN1; SMN2MAPTMEN1
SCHEMBL8568534 0.76 CYP19A1 (0.40) HTTPOLBSMN1; SMN2MAPTLMNA
SCHEMBL12205175 0.76 HTR6 (0.66) HTTMAPTMEN1KMT2ACYP1A2
SCHEMBL8560894 0.76 HTR6 (0.55) HTTPOLBSMN1; SMN2MAPTMEN1
SCHEMBL8603087 0.75 HCAR3 (0.42) HTTSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4619552 0.74 KMT2A (0.53) MAPTMEN1KMT2A
SCHEMBL8561788 0.73 ALDH1A1 (0.47) POLBSMN1; SMN2MAPTMEN1KMT2A

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