Ethylene

Ethylene

SCHEMBL28301101

C=C.CC(C)c1cccc2c1[nH]c1ccccc12.CC(C)c1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.41
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
MAPT P10636 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
MAPK1 P28482 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 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
SCHEMBL1725487 0.82 KIF11 (0.58) KIF11GABRPGABRDMAPTGABRA1
SCHEMBL262352 0.80 KIF11 (0.40) KIF11GABRPGABRDMAPTGABRA1
SCHEMBL19305287 0.79 KIF11 (0.50) KIF11GABRPGABRDMAPTGABRA1
SCHEMBL21913733 0.77 GABRA1 (0.41) MAPTGABRA1GABRB1GABRG2GABRB3
SCHEMBL8936346 0.74 CYP1A2 (0.36) MAPTGABRA1GABRB1GABRG2GABRB3
SCHEMBL29268809 0.74 PARP14 (0.47) KIF11PARP14
SCHEMBL29476082 0.74 PARP14 (0.47) KIF11PARP14
SCHEMBL13338984 0.73 SIGMAR1 (0.38) MAPTGABRA1GABRB1GABRG2GABRB3
SCHEMBL5596637 0.71 KIF11 (0.53) KIF11GABRPGABRDMAPTGABRA1
SCHEMBL28422269 0.71 MAPT (0.44) KIF11MAPTALDH1A1KDM4EMEN1

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-109776392-A A kind of carbazole-N- base diphenylethyllene triphenylamine derivative hole mobile material and preparation method thereof 天津大学 2019-05-21 CN disclosed