SCHEMBL24636727

SCHEMBL24636727

C=C/C(=C\CC)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.48
▸ TAS2R38 P59533 2/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL25895500 0.83 THRB (0.39) TGM2CYP1A2KMT2AGAAL3MBTL1
SCHEMBL18392866 0.80 TGM2 (0.55) TGM2TAS2R38CYP1A2KMT2AMAPT
SCHEMBL25839247 0.80 KMT2A (0.39) TAS2R38KMT2AMAPTGAAHSD17B10
SCHEMBL24158449 0.80 TGM2 (0.43) TGM2TAS2R38CYP1A2KMT2AMAPT
SCHEMBL27406852 0.75 ALOX12 (0.44) KMT2AMAPTGAAHPGDL3MBTL1
SCHEMBL18383509 0.75 TGM2 (0.53) TGM2TAS2R38CYP1A2KMT2AMAPT
SCHEMBL19561696 0.75 MAPT (0.53) TAS2R38KMT2AMAPTGAAHSD17B10
SCHEMBL14402892 0.74 TGM2 (0.48) TGM2TAS2R38CYP1A2KMT2AMAPT
SCHEMBL18872521 0.74 TGM2 (0.41) TGM2TAS2R38CYP1A2KMT2AMAPT
SCHEMBL14402891 0.73 MAPT (0.46) TAS2R38KMT2AMAPTGAAHSD17B10

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
WO-2022191560-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-09-15 — — WO disclosed
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