SCHEMBL11291187

SCHEMBL11291187

O=C1CC=CC2=C1c1ccccc1NC=C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ FER P16591 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ DYRK1B Q9Y463 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
SCHEMBL6030434 0.72 — —
SCHEMBL7623449 0.68 — —
SCHEMBL10900576 0.65 MAOA (0.36) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL10679874 0.65 LRRK2 (0.42) SMN1; SMN2MAOAMAOBPDGFRAFER
SCHEMBL8880019 0.65 KDM4E (0.32) —
SCHEMBL28829617 0.64 MAOA (0.36) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL8879355 0.63 PKM (0.33) —
SCHEMBL1501865 0.62 CDC25B (0.41) NPC1TP53RAB9AMAPK10SMN1; SMN2
SCHEMBL5494021 0.62 CDC25B (0.41) NPC1TP53RAB9AMAPK10SMN1; SMN2
SCHEMBL168935 0.62 PDGFRA (0.52) RAB9ASMN1; SMN2MAOAMAOBPDGFRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044989-A1 5-Subsituted 5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-ones, process for preparing them and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-02-03 — — EP disclosed
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