SCHEMBL9831783

SCHEMBL9831783

CCOC(=O)C1(CC)C(=O)Nc2cc([N+](=O)[O-])c(NC(=O)c3ccncc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL9832723 0.96 MAPT (0.40) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL9831754 0.90 MAPT (0.51) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL9832315 0.88 MAPT (0.39) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL9832017 0.86 MAPT (0.51) MAPTKMT2ANPC1LMNACYP1A2
SCHEMBL9830264 0.85 MAPT (0.41) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL9831423 0.84 MAPT (0.40) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL11023012 0.82 MAPT (0.38) MAPTKMT2ANPC1LMNAALDH1A1
SCHEMBL9832850 0.81 POLB (0.43) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL9833886 0.81 KMT2A (0.43) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL11025025 0.79 MAPT (0.38) MAPTKMT2ANPC1LMNAALDH1A1

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