SCHEMBL25452834

SCHEMBL25452834

C=C/C=C\C(=C)NC(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 3/20 0.44
▸ MAPT P10636 2/20 0.44

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
SCHEMBL19403909 0.84 SMN1; SMN2 (0.48) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL22446478 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL19403907 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL12862829 0.82 TGM2 (0.48) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL21008326 0.76 NPC1 (0.47) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL19501014 0.76 TGM2 (0.49) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10401175 0.75 SMN1; SMN2 (0.80) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8743154 0.75 TGM2 (0.71) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL23982850 0.73 TGM2 (0.53) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL20467397 0.73 RAB9A (0.44) SMN1; SMN2TP53EPHX1TSHREPHX2

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-20230144275-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2023-05-11 — — US disclosed
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