SCHEMBL30553754

SCHEMBL30553754

N#Cc1ccc(OCCO)cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.56
▸ MAOA P21397 2/20 0.53
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ NSD3 Q9BZ95 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ AR P10275 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL29043678 1.00 MAOB (0.56) MAOBMAOAPRKAB2PRKAG1PRKAA2
SCHEMBL28746886 0.91 MAOB (0.54) MAOBMAOANSD2NSD3ALDH1A1
SCHEMBL27914171 0.88 MAOB (0.51) MAOBMAOANSD2NSD3ALDH1A1
SCHEMBL11417695 0.85 MAOB (0.59) MAOBMAOANSD2NSD3ALDH1A1
SCHEMBL11417856 0.85 MAOB (0.59) MAOBMAOANSD2NSD3ALDH1A1
SCHEMBL11418242 0.85 MAOB (0.59) MAOBMAOANSD2NSD3ALDH1A1
SCHEMBL25315117 0.84 PLA2G7 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22573246 0.84 MAOB (0.45) MAOBMAOAPRKAB2PRKAG1PRKAA2
SCHEMBL15142447 0.84 CYP11B1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15145270 0.84 MRGPRX4 (0.51) MAOBPRKAB2PRKAG1PRKAA2PRKAA1

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
CN-116284556-A Photocatalytic mediated nitric oxide release polymer, preparation method thereof and application of photocatalytic mediated nitric oxide release polymer in anti-biofilm 中国科学技术大学 2023-06-23 — — CN disclosed
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