SCHEMBL9832729

SCHEMBL9832729

COC(=O)C1(C)C(=O)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPC1 O15118 2/20 0.57
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL9833142 0.96 MAPT (0.57) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9831567 0.91 MAPT (0.52) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9831749 0.91 MAPT (0.54) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9833046 0.89 MAPT (0.43) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9833516 0.88 MAPT (0.52) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL11021640 0.87 MAPT (0.45) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9832502 0.87 MAPT (0.54) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9833886 0.85 KMT2A (0.43) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9832307 0.84 MAPT (0.57) MAPTNPC1ABCB1ABCC1MEN1
SCHEMBL9831591 0.84 MAPT (0.52) MAPTNPC1ABCB1ABCC1MEN1

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