SCHEMBL9834101

SCHEMBL9834101

CC(C)C1C(=O)Nc2cc3c(cc21)NC(O)N3

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.35
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
IDO1 P14902 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
SCHEMBL9835029 0.85 MAOB (0.39) MAOBMAPTTP53LMNATHRB
SCHEMBL9834389 0.78 PGR (0.41)
SCHEMBL10375402 0.78 TNKS2 (0.42) MAOBMAPTTP53LMNATHRB
SCHEMBL10566724 0.76 MAOB (0.34) MAOBMAPTTP53LMNATHRB
SCHEMBL9834604 0.75 PGR (0.46) MAPTTP53LMNAIDO1
SCHEMBL9833533 0.75 MAOB (0.40) MAOBMAPTTP53LMNATHRB
SCHEMBL10376075 0.74 TNKS2 (0.47) MAOBMAPTTP53LMNATHRB
Hydrochloric Acid SCHEMBL10376017 0.73 MAOB (0.40) MAOBMAPTTP53LMNATHRB
SCHEMBL10376369 0.73 MAOB (0.39) MAOBMAPTTP53LMNATHRB
SCHEMBL9834705 0.73 NQO2 (0.39) MAPTTP53LMNAIDO1

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