SCHEMBL24291369

SCHEMBL24291369

C=C/C=C\CC(=C)Nc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ DDAH1 O94760 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KIF11 P52732 1/20 0.35

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
SCHEMBL14017499 0.69 TGM2 (0.49) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL7816692 0.67 POLB (0.66) TGM2POLBTDP1MEN1HTT
SCHEMBL20057973 0.67 MEN1 (0.50) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL25930070 0.66 TGM2 (0.45) TGM2POLBTDP1MAPTNPC1
SCHEMBL18599481 0.66 HPGD (0.48) POLBTDP1MEN1CYP1A2CYP3A4
SCHEMBL21160651 0.66 HDAC3 (0.51) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL21416943 0.66 ALDH1A1 (0.45) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL10057892 0.65 TDP1 (0.60) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL23607581 0.65 TDP1 (0.54) TGM2POLBTDP1MEN1CYP1A2
SCHEMBL25769933 0.65 TGM2 (0.47) TGM2POLBTDP1MAPTNPC1

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
EP-3984534-A1 DIARYLAMIDE COMPOUND AND APPLICATION THEREOF Peking University (CN) 2022-04-20 — — EP disclosed
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