SCHEMBL9833666

SCHEMBL9833666

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
IDO1 P14902 1/20 0.35
NQO2 P16083 3/20 0.35
TP53 P04637 6/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
SYK P43405 1/20 0.33
GSK3B P49841 1/20 0.32
CDYL2 Q8N8U2 1/20 0.31
CDYL Q9Y232 1/20 0.31

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
SCHEMBL9835247 0.83 PGR (0.46) PGRIDO1NQO2TP53MAPT
SCHEMBL9834604 0.83 PGR (0.46) PGRIDO1NQO2TP53MAPT
SCHEMBL9836085 0.81 PGR (0.44) PGRIDO1NQO2TP53MAPT
SCHEMBL9834779 0.81 PGR (0.47) PGRIDO1NQO2TP53MAPT
SCHEMBL9835010 0.81 PGR (0.44) PGRIDO1NQO2TP53MAPT
SCHEMBL9834612 0.80 PGR (0.43) PGRNQO2TP53MAPTLMNA
SCHEMBL9833162 0.79 PGR (0.41) PGRIDO1
SCHEMBL5181107 0.79 PGR (0.48) PGRIDO1NQO2TP53MAPT
SCHEMBL9834376 0.77 PGR (0.47) PGRIDO1TP53MAPTLMNA
SCHEMBL9833705 0.77 PGR (0.41) PGRNQO2TP53MAPTLMNA

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