SCHEMBL9833698

SCHEMBL9833698

C=CCc1nc2cc3c(cc2[nH]1)NC(=O)C3CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
MMP2 P08253 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADAMTS5 Q9UNA0 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
SCHEMBL9834630 0.85 MAPT (0.33) PGRGAAHTTKMT2AMAPT
SCHEMBL9834766 0.84 KMT2A (0.48) PGRGAAHTTKMT2A
SCHEMBL9833658 0.79 FABP6 (0.43) PGRKMT2AMEN1TDP1
SCHEMBL9835234 0.79 PGR (0.40) PGRADAMTS5
SCHEMBL9834590 0.79 PGR (0.40) PGRATMADAMTS5
SCHEMBL9835004 0.77 HPGD (0.40) PGRHTTKMT2AMAPTMEN1
SCHEMBL9836082 0.77 KDM4E (0.43) PGRHTTKMT2AMEN1ATM
SCHEMBL9834606 0.76 KDM4E (0.45) PGRHTTMAPT
SCHEMBL9834640 0.76 CHRNB2 (0.39) MAPTTP53TDP1ADAMTS5
SCHEMBL10374413 0.75 PGR (0.47) PGRGAAHTTKMT2AMAPT

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