SCHEMBL6175232

SCHEMBL6175232

O=C(Nc1ccccc1)Oc1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 15/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL6173528 0.91 ECE1 (0.44) ECE1MEN1KMT2AALDH1A1
SCHEMBL6606652 0.91 MEN1 (0.45) ECE1MEN1KMT2AMAPTALDH1A1
SCHEMBL6176218 0.91 ECE1 (0.47) ECE1MEN1KMT2AMAPTLMNA
SCHEMBL6174325 0.90 ECE1 (0.52) ECE1MEN1KMT2AALDH1A1
SCHEMBL6178305 0.90 RAB9A (0.48) ECE1MEN1KMT2AMAPTLMNA
SCHEMBL6174275 0.88 CCR2 (0.42) ECE1MEN1KMT2A
SCHEMBL6175582 0.86 MAPT (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6020330 0.84 ECE1 (0.65) ECE1
SCHEMBL6175680 0.82 EGFR (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6173011 0.82 KMT2A (0.41) ECE1MEN1KMT2AMAPTALDH1A1

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-1432415-B1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-12-28 EP disclosed
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