Sugi Predict

Sugi Predict / Compounds / SCHEMBL9954280

SCHEMBL9954280

SCHEMBL9954280

O=C(c1nccs1)N1CCc2nc(Nc3cccc(Cl)c3)ncc2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.57
▸ PDGFRB P09619 12/20 0.55
▸ MAOB P27338 2/20 0.53
▸ GRM5 P41594 2/20 0.53
▸ MAOA P21397 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43

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
SCHEMBL9955257 0.84 PDGFRB (0.71) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9954102 0.84 MAOB (0.61) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9955875 0.81 MAOB (0.61) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9955388 0.81 GRM5 (0.58) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9954695 0.81 PDGFRB (0.66) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9955054 0.81 MAOB (0.61) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9955540 0.81 KDR (0.56) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9953995 0.81 MAOB (0.57) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9955998 0.81 MAOB (0.57) KDRPDGFRBMAOBGRM5MAOA
SCHEMBL9954811 0.80 GRM5 (0.59) KDRPDGFRBMAOBGRM5MAOA

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
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 — — WO disclosed