SCHEMBL10566252

SCHEMBL10566252

Cc1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])C(C)C(=O)N3)c(C)nn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
KCNMA1 Q12791 2/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
KLF10 Q13118 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
EP300 Q09472 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL10568156 0.84 MAPT (0.36) MAPTGAAALDH1A1KMT2ACYP2C9
SCHEMBL10563785 0.78 PGR (0.36) MAPTGAAPGRALDH1A1KMT2A
SCHEMBL9831073 0.74 HCAR3 (0.42) MAPTGAAKCNMA1PGRALDH1A1
SCHEMBL9833518 0.71 MAPT (0.56) MAPTKCNMA1ALDH1A1KMT2AMEN1
SCHEMBL9833049 0.67 MAPT (0.41) MAPTGAAKCNMA1ALDH1A1KMT2A
SCHEMBL9833818 0.67 MAPT (0.42) MAPTGAAKCNMA1ALDH1A1KMT2A
SCHEMBL9831111 0.67 PGR (0.48) MAPTPGRALDH1A1KMT2AMEN1
SCHEMBL9834129 0.66 AURKB (0.44) MAPTGAAKMT2AMEN1NPC1
SCHEMBL9831885 0.65 MAPT (0.43) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL10567315 0.65 MAPT (0.37) MAPTGAAALDH1A1KMT2AMEN1

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
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed