SCHEMBL19978075

SCHEMBL19978075

COc1cccc2c1C/C(=C\c1ccc([N+](=O)[O-])cc1)NO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAOB P27338 1/20 0.44
PTGS2 P35354 3/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TLR9 Q9NR96 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPT P10636 3/20 0.37
MCL1 Q07820 2/20 0.37

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
SCHEMBL19949594 0.72 CYP19A1 (0.67) APPMAOBPTGS2CYP19A1MEN1
SCHEMBL19949595 0.72 CYP19A1 (0.67) APPMAOBPTGS2CYP19A1MEN1
SCHEMBL8543924 0.69 CYP19A1 (0.67) APPMAOBCYP19A1MEN1KMT2A
SCHEMBL8543928 0.69 CYP19A1 (0.67) APPMAOBCYP19A1MEN1KMT2A
SCHEMBL9828718 0.63 PTGS2 (0.66) PTGS2CYP19A1TLR9PTGS1MAPT
SCHEMBL9828721 0.63 PTGS2 (0.66) PTGS2CYP19A1TLR9PTGS1MAPT
SCHEMBL14306002 0.62 KRAS (0.65) MAOBPTGS2CYP19A1MEN1KMT2A
SCHEMBL31527932 0.62 NPC1 (0.61) PTGS2CYP19A1MEN1KMT2ANPC1
SCHEMBL14249195 0.62 KRAS (0.65) MAOBPTGS2CYP19A1MEN1KMT2A
SCHEMBL10481633 0.60 PTGS2 (0.72) APPPTGS2CYP19A1TLR9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018053240-A1 PEPTIDOMIMETICS AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-03-22 WO disclosed