SCHEMBL30620385

SCHEMBL30620385

N#Cc1cccc(C#Cc2ccccc2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ APP P05067 1/20 0.48
▸ TSHR P16473 2/20 0.44
▸ HIF1A Q16665 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL15009036 0.83 APP (0.57) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL3797526 0.81 APP (0.60) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL645262 0.80 TSHR (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL16720065 0.78 MAPT (0.47) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL26655206 0.77 MAPT (0.46) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL964479 0.76 FFAR1 (0.39) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL9843272 0.75 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL2114742 0.75 APP (0.75) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL5871989 0.75 APP (0.75) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT
SCHEMBL8623053 0.74 APP (0.41) ALDH1A1SMN1; SMN2NPC1KDM4EMAPT

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-116785949-A Covalent triazinyl composite membrane and preparation method and application thereof 国家纳米科学中心 2023-09-22 — — CN claimed
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