SCHEMBL9833715

SCHEMBL9833715

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])C(CC(C)C)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 1/20 0.40
PSMB4 P28070 1/20 0.40
PSMB6 P28072 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB3 P49720 1/20 0.40
PSMB2 P49721 1/20 0.40
PSMA6 P60900 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
SCHEMBL9832248 0.84 MAPT (0.40) MAPTALDH1A1GAAPSMB11PSMA7
SCHEMBL9833084 0.81 MAPT (0.51) MAPTALDH1A1GAAKMT2APOLB
SCHEMBL9833672 0.80 MAPT (0.38) MAPTALDH1A1GAAPSMB11PSMA7
SCHEMBL9832943 0.79 MAPT (0.39) MAPTALDH1A1PSMB11PSMA7PSMB1
SCHEMBL11024217 0.78 MAPT (0.48) MAPTALDH1A1GAAKMT2APOLB
SCHEMBL9832415 0.77 MAPT (0.51) MAPTALDH1A1GAAKMT2APOLB
SCHEMBL9832325 0.76 MAPT (0.39) MAPTALDH1A1PSMB11PSMA7PSMB1
SCHEMBL9833238 0.74 NQO2 (0.55) MAPTALDH1A1GAANQO2KMT2A
SCHEMBL9833300 0.68 NPSR1 (0.45) MAPTALDH1A1GAANPSR1KMT2A
SCHEMBL9833492 0.68 MAPT (0.40) MAPTALDH1A1GAAKMT2APOLB

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-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
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed