SCHEMBL9831368

SCHEMBL9831368

CC1C(=S)Nc2cc(NC(=O)c3cccnc3)c([N+](=O)[O-])cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
KCNMA1 Q12791 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HDAC1 Q13547 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
SCHEMBL9832029 0.96 MAPT (0.55) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9833049 0.88 MAPT (0.41) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9833480 0.88 MAPT (0.55) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9833518 0.85 MAPT (0.56) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9833228 0.84 MAPT (0.55) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9832285 0.84 HCAR3 (0.41) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL9834129 0.82 AURKB (0.44) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL9831336 0.82 MAPT (0.54) MAPTNPC1ALDH1A1POLBMEN1
SCHEMBL11023902 0.82 MAPT (0.43) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL9833513 0.81 MAPT (0.53) MAPTNPC1ALDH1A1POLBMEN1

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