SCHEMBL8562887

SCHEMBL8562887

Nc1c(NCc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
HTT P42858 3/20 0.50
MAPT P10636 7/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 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 0.84 BACE1 (0.56) BACE1HTTMAPTPOLBSMN1; SMN2
SCHEMBL8921373 0.81 HTT (0.64) BACE1HTTMAPTPOLBSMN1; SMN2
SCHEMBL26914710 0.78 MAPT (0.58) BACE1HTTMAPTMEN1KMT2A
SCHEMBL8569474 0.77 HTT (0.49) BACE1HTTMAPTPOLBSMN1; SMN2
SCHEMBL8561698 0.76 NSD2 (0.50) HTTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL8563864 0.76 NSD2 (0.49) POLBSMN1; SMN2CYP1A2CYP3A4LMNA
SCHEMBL8596102 0.76 HCAR3 (0.42) HTTMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4743191 0.76 HTT (0.61) HTTMAPTPOLBSMN1; SMN2MEN1
SCHEMBL8566712 0.75 CYP19A1 (0.43) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2572082 0.75 HTT (0.50) HTTMAPTPOLBSMN1; SMN2MEN1

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