SCHEMBL9568686

SCHEMBL9568686

N#CNC(=N)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.50
▸ MAOA P21397 7/20 0.50
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ IMPDH2 P12268 1/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ PRKCI P41743 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
SCHEMBL9540720 0.76 F2 (0.57) MAOBMAOANPC1RAB9AMAPT
SCHEMBL8854243 0.75 ABCC9 (0.40) RAB9AMAPT
SCHEMBL4526884 0.73 MAOB (0.65) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803696 0.73 NPC1 (0.67) MAOBMAOANPC1RAB9AMAPT
SCHEMBL16351333 0.72 MAOB (0.49) MAOBMAOANPC1RAB9AMAPT
SCHEMBL22803844 0.71 ESR1 (0.61) MAOBMAOANPC1RAB9AMAPT
SCHEMBL31668688 0.71 MAOA (0.66) MAOBMAOANPC1RAB9AMAPT
SCHEMBL4347943 0.71 NPC1 (0.69) MAOBMAOANPC1RAB9AMAPT
SCHEMBL31668680 0.71 MAOB (0.88) MAOBMAOANPC1RAB9AMAPT
SCHEMBL5177372 0.70 MAOB (0.83) MAOBMAOANPC1RAB9AMAPT

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-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 — — EP disclosed
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