SCHEMBL6606652

SCHEMBL6606652

COc1ccc(NC(=O)Oc2cc3cc([N+](=O)[O-])ccc3n2Cc2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ECE1 P42892 10/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL6178305 0.92 RAB9A (0.48) MEN1KMT2AECE1MAPTNPC1
SCHEMBL6175232 0.91 ECE1 (0.47) MEN1KMT2AECE1MAPTALDH1A1
SCHEMBL6018613 0.87 ECE1 (0.59) ECE1MAPTNPC1ALDH1A1RAB9A
SCHEMBL6173528 0.86 ECE1 (0.44) MEN1KMT2AECE1ALDH1A1ALOX5
SCHEMBL6174325 0.84 ECE1 (0.52) MEN1KMT2AECE1ALDH1A1RAB9A
SCHEMBL6175582 0.83 MAPT (0.42) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL6177288 0.82 ECE1 (0.64) ECE1
SCHEMBL6176218 0.82 ECE1 (0.47) MEN1KMT2AECE1MAPTNPC1
SCHEMBL6174275 0.82 CCR2 (0.42) MEN1KMT2AECE1
SCHEMBL6173011 0.79 KMT2A (0.41) MEN1KMT2AECE1MAPTNPC1

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
EP-1432415-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 WO disclosed