SCHEMBL9834908

SCHEMBL9834908

CC1(C#N)C(=O)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
MCL1 Q07820 1/20 0.39
MAPK1 P28482 3/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HCAR3 P49019 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CACNA1B Q00975 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
SCHEMBL9834415 0.96 POLB (0.39) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9831591 0.89 MAPT (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9833023 0.87 POLB (0.43) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9832931 0.85 MAPT (0.52) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9834038 0.84 MAPT (0.42) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9832850 0.83 POLB (0.43) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9833046 0.82 MAPT (0.43) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL10471038 0.80 PGR (0.41) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9834325 0.80 POLB (0.41) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL9833245 0.80 POLB (0.42) POLBKMT2AMEN1MAPTALDH1A1

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