SCHEMBL9834612

SCHEMBL9834612

CCC1C(=O)Nc2cc3c(cc21)NC(C(F)(F)F)N3

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
AR P10275 6/20 0.33
TP53 P04637 5/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
NQO2 P16083 3/20 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
SCHEMBL9833820 0.81 PGR (0.38) PGRAR
SCHEMBL9834604 0.80 PGR (0.46) PGRTP53MAPTLMNAPOLB
SCHEMBL9833666 0.80 PGR (0.46) PGRTP53MAPTLMNAPOLB
SCHEMBL9835247 0.80 PGR (0.46) PGRTP53MAPTLMNAPOLB
SCHEMBL9835010 0.77 PGR (0.44) PGRTP53MAPTLMNAPOLB
SCHEMBL9836085 0.77 PGR (0.44) PGRTP53MAPTLMNAPOLB
SCHEMBL9834779 0.77 PGR (0.47) PGRTP53MAPTLMNAPOLB
SCHEMBL9833705 0.74 PGR (0.41) PGRTP53MAPTLMNAPOLB
SCHEMBL9834376 0.74 PGR (0.47) PGRTP53MAPTLMNAPOLB
SCHEMBL9833014 0.72 NQO2 (0.41) PGRTP53MAPTNQO2

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-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