SCHEMBL9831445

SCHEMBL9831445

CC(C)CC1C(=O)Nc2cc3[nH]c(-c4cccnc4)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
STAT1 P42224 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.45
CYP11B1 P15538 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LDHA P00338 1/20 0.44
EPHX2 P34913 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
KIT P10721 2/20 0.42
KMT2A Q03164 1/20 0.41
GUSB P08236 1/20 0.41
TP53 P04637 3/20 0.40
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11020209 0.96 HPGD (0.47) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9833576 0.88 PDE4A (0.49) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9831222 0.85 MAPT (0.54) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10471601 0.84 HPGD (0.48) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10473663 0.84 MAPT (0.50) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9831369 0.83 MAPT (0.51) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9833850 0.80 ALDH1A1 (0.53) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9831677 0.79 KDM4E (0.54) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL10374413 0.77 PGR (0.47) MAPTHPGDKDM4EALDH1A1RAB9A
SCHEMBL9831064 0.77 ALDH1A1 (0.50) MAPTHPGDKDM4EALDH1A1RAB9A

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 1 patent. 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