SCHEMBL28482174

SCHEMBL28482174

N#Cc1cccc(-c2c3nc(c(-c4cccc(C#N)c4)c4ccc([nH]4)c(-c4cccc(C#N)c4)c4nc(c(-c5cccc(C#N)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Co]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.46
▸ TERT O14746 2/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ TOP1 P11387 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CYCS P99999 3/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ LRRK2 Q5S007 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
SCHEMBL29777543 0.98 CYP19A1 (0.47) CYP19A1TERTCLK4XDHSTAT3
SCHEMBL30626043 0.84 TERT (0.46) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28346165 0.81 TOP1 (0.54) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28759678 0.81 TOP1 (0.54) CYP19A1TERTSTAT3STAT1TOP1
SCHEMBL29777544 0.80 TOP1 (0.55) TERTSTAT3STAT1TOP1CYCS
SCHEMBL6513665 0.80 TOP1 (0.55) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28494122 0.78 TOP1 (0.54) TERTSTAT3STAT1TOP1CYCS
SCHEMBL29437849 0.78 TOP1 (0.54) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28474117 0.78 TOP1 (0.54) TERTSTAT3STAT1TOP1CYCS
SCHEMBL28508880 0.78 TOP1 (0.54) TERTSTAT3STAT1TOP1CYCS

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-111675620-A Method for catalytic oxidation of toluene and derivatives thereof by metalloporphyrin 浙江工业大学 2020-09-18 — — CN disclosed
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