SCHEMBL4300486

SCHEMBL4300486

O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
ALDH1A1 P00352 8/20 0.73
HTT P42858 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
TRPV1 Q8NER1 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TRPM2 O94759 1/20 0.59
PKM P14618 1/20 0.54

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
SCHEMBL4300487 1.00 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6791019 0.85 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6791025 0.85 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8641053 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8641059 0.82 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL17109793 0.81 ALDH1A1 (0.88) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6784387 0.80 KMT2A (0.76) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6784388 0.80 KMT2A (0.76) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL11760920 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8065998 0.75 TRPV1 (0.67) SMN1; SMN2ALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 WO disclosed