SCHEMBL9831073

SCHEMBL9831073

CC1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 6/20 0.40
MAPT P10636 6/20 0.40
RAB9A P51151 5/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PGR P06401 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL9832285 0.88 HCAR3 (0.41) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833518 0.88 MAPT (0.56) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9834950 0.88 HCAR3 (0.41) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9832605 0.87 MAPT (0.42) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833059 0.87 HCAR3 (0.40) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833897 0.86 KMT2A (0.43) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833347 0.85 MAPT (0.39) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833049 0.84 MAPT (0.41) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833672 0.84 MAPT (0.38) HCAR3KMT2APOLBNPC1MAPT
SCHEMBL9833818 0.83 MAPT (0.42) HCAR3KMT2APOLBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed