SCHEMBL10565679

SCHEMBL10565679

Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)C4C(N)=O)c(C)nn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
F2 P00734 2/20 0.32
F10 P00742 2/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PRSS1 P07477 2/20 0.32
CHEK2 O96017 2/20 0.32
PLAT P00750 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
SCHEMBL10566801 0.87 TDP2 (0.40) AMY1ANPC1RAB9A
SCHEMBL10569454 0.84 NPC1 (0.34) AMY1ANPC1RAB9AATMERAP1
SCHEMBL9834772 0.75
SCHEMBL10565693 0.72
SCHEMBL9832544 0.69 CHRNB2 (0.42) RAB9A
SCHEMBL9830544 0.68 PDE4A (0.51) NPC1RAB9AATMCHEK2
SCHEMBL10567017 0.67 IDO1 (0.34) NPC1RAB9AATMERAP1
SCHEMBL9834558 0.67 CHRNB2 (0.39) RAB9A
SCHEMBL10566874 0.66 TDP2 (0.37) NPC1RAB9A
SCHEMBL10567219 0.66 TDP2 (0.39) NPC1RAB9A

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
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed