SCHEMBL9833347

SCHEMBL9833347

CCC(CC)C1C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 3/20 0.39
HCAR3 P49019 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 0.37
CYP19A1 P11511 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 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
SCHEMBL9833552 0.96 MAPT (0.41) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9833059 0.90 HCAR3 (0.40) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9832599 0.90 MAPT (0.51) MAPTKMT2ANPC1RAB9AGAA
SCHEMBL11022496 0.87 MAPT (0.46) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL9831130 0.86 MAPT (0.51) MAPTKMT2ANPC1RAB9AGAA
SCHEMBL9832605 0.86 MAPT (0.42) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9831073 0.85 HCAR3 (0.42) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9833672 0.84 MAPT (0.38) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9834950 0.83 HCAR3 (0.41) MAPTKMT2AMAPK1NPC1RAB9A
SCHEMBL9831476 0.82 MAPT (0.41) MAPTKMT2AMAPK1NPC1RAB9A

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-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed