SCHEMBL9679604

SCHEMBL9679604

Cc1cc(-c2nc3cc4c(cc3[nH]2)[nH]c(=O)n4C)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
METAP1 P53582 4/20 0.35
PDE2A O00408 3/20 0.35
METAP2 P50579 3/20 0.35
CBFB Q13951 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPT P10636 2/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PGR P06401 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL10552973 0.82 LMNA (0.45) LMNAPDE3BPDE3AMETAP1PDE2A
SCHEMBL10553112 0.80 LMNA (0.44) LMNAPDE3BPDE3AMETAP1PDE2A
SCHEMBL10551686 0.80 LMNA (0.48) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL9680318 0.78 LMNA (0.43) LMNAPDE3BPDE3AMETAP1PDE2A
SCHEMBL10551194 0.78 LMNA (0.48) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL9680368 0.77 LMNA (0.43) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL10554184 0.76 LMNA (0.46) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL10556108 0.76 LMNA (0.49) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL9677526 0.76 LMNA (0.54) LMNAPDE3BPDE3APDE2AKMT2A
SCHEMBL9678489 0.76 LMNA (0.43) LMNAPDE3BPDE3AMETAP1PDE2A

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-0207483-B1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1992-03-18 EP disclosed
US-4831032-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ISOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-16 US disclosed
EP-0207483-A2 Benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1987-01-07 EP disclosed