SCHEMBL8596069

SCHEMBL8596069

C=CCN(CC=C)C(=O)c1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31
ATG4B Q9Y4P1 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL8599316 0.77 KDM4E (0.36) ALDH1A1KDM4ELMNAHTTCYP3A4
SCHEMBL8599306 0.77 ATG4B (0.43) ALDH1A1HTTCYP3A4CYP2C19KMT2A
SCHEMBL8595645 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHTTCYP3A4
SCHEMBL8595119 0.76 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTTCYP3A4
SCHEMBL8597055 0.76 ALDH1A1 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8566366 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ELMNACYP3A4KMT2A
SCHEMBL8563141 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ELMNACYP3A4CYP2D6
SCHEMBL8564125 0.73 ALDH1A1 (0.33) ALDH1A1LMNAHTTCYP3A4MAPT
SCHEMBL8600107 0.73 KDM4E (0.36) ALDH1A1KDM4ELMNAHTTCYP3A4
SCHEMBL8596319 0.72 ALDH1A1 (0.32) ALDH1A1HTTCYP2C19KMT2AMAPT

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