SCHEMBL9833046

SCHEMBL9833046

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.41
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
MCL1 Q07820 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 2/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL9833886 0.96 KMT2A (0.43) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9830264 0.91 MAPT (0.41) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9834038 0.90 MAPT (0.42) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9832729 0.89 MAPT (0.57) MAPTALDH1A1KMT2APOLBNPC1
SCHEMBL9832315 0.87 MAPT (0.39) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9833023 0.87 POLB (0.43) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9834325 0.86 POLB (0.41) MAPTALDH1A1GAATDP1KMT2A
SCHEMBL9833142 0.85 MAPT (0.57) MAPTALDH1A1KMT2APOLBNPC1
SCHEMBL11021640 0.84 MAPT (0.45) MAPTALDH1A1KMT2APOLBNPC1
SCHEMBL9832850 0.83 POLB (0.43) MAPTALDH1A1GAATDP1KMT2A

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