SCHEMBL9832393

SCHEMBL9832393

C=CCC1(CC=C)C(=O)Nc2cc(NC(=O)c3ccncc3)c([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 3/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
HCAR3 P49019 2/20 0.36
RAB9A P51151 2/20 0.36
MCL1 Q07820 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNMA1 Q12791 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9831655 0.96 MAPT (0.38) MAPTALDH1A1GAATDP1SMN1; SMN2
SCHEMBL11021883 0.94 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL9833911 0.90 MAPT (0.50) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL9831795 0.86 MAPT (0.50) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL9831423 0.83 MAPT (0.40) MAPTALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9833023 0.82 POLB (0.43) MAPTALDH1A1GAATDP1SMN1; SMN2
SCHEMBL9833046 0.80 MAPT (0.43) MAPTALDH1A1GAATDP1SMN1; SMN2
SCHEMBL10471038 0.79 PGR (0.41) MAPTALDH1A1GAATDP1NPC1
SCHEMBL9834038 0.79 MAPT (0.42) MAPTALDH1A1GAATDP1SMN1; SMN2
SCHEMBL11023666 0.79 MAPT (0.39) MAPTALDH1A1GAASMN1; SMN2NPC1

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