SCHEMBL9835010

SCHEMBL9835010

CCC1C(=O)Nc2cc3c(cc21)NC(SC)N3

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
MAPT P10636 5/20 0.35
TP53 P04637 5/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 2/20 0.32
NQO2 P16083 3/20 0.32
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL9834604 0.81 PGR (0.46) PGRMAPTTP53POLBLMNA
SCHEMBL9833666 0.81 PGR (0.46) PGRMAPTTP53POLBLMNA
SCHEMBL9834592 0.81 PGR (0.39) PGRMAPT
SCHEMBL9835247 0.81 PGR (0.46) PGRMAPTTP53POLBDRD2
SCHEMBL9834779 0.78 PGR (0.47) PGRMAPTTP53POLBDRD2
SCHEMBL9836085 0.78 PGR (0.44) PGRMAPTTP53POLBDRD2
SCHEMBL9834612 0.77 PGR (0.43) PGRMAPTTP53POLBLMNA
SCHEMBL9834376 0.75 PGR (0.47) PGRMAPTTP53POLBLMNA
SCHEMBL9833705 0.75 PGR (0.41) PGRMAPTTP53POLBLMNA
SCHEMBL9833014 0.74 NQO2 (0.41) PGRMAPTTP53NQO2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed