SCHEMBL9422695

SCHEMBL9422695

[N]=Nc1cccc(C#N)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ HTT P42858 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL3767157 0.84 LMNA (0.47) MAOAMAOBLMNASMN1; SMN2TSHR
SCHEMBL10052139 0.81 MAOA (0.45) MAOAMAOBLMNASMN1; SMN2HIF1A
SCHEMBL645262 0.78 TSHR (0.48) MAOAMAOBSMN1; SMN2HIF1ATSHR
SCHEMBL7721376 0.75 MAOA (0.51) MAOAMAOBLMNASMN1; SMN2HIF1A
SCHEMBL3023046 0.73 SMN1; SMN2 (0.43) MAOAMAOBLMNASMN1; SMN2HIF1A
SCHEMBL31473075 0.72 SMN1; SMN2 (0.56) MAOAMAOBLMNASMN1; SMN2TSHR
SCHEMBL9126809 0.72 TSHR (0.42) LMNASMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL11132592 0.72 ESR2 (0.43) MAOAMAOBSMN1; SMN2HIF1ATSHR
SCHEMBL4456223 0.72 SMN1; SMN2 (0.56) MAOAMAOBLMNASMN1; SMN2TSHR
SCHEMBL4091682 0.72 LMNA (0.48) MAOAMAOBLMNASMN1; SMN2TSHR

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
US-5376150-A Use of pyridine dyes in the textile sector, dye mixtures with pyridine dyes, and triazolopyridine dyes having a thienyl radical BASF AKTIENGESELLSCHAFT (DE) 1994-12-27 — — US disclosed
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