SCHEMBL19147809

SCHEMBL19147809

CC1(C)c2ccccc2-c2cc(Nc3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.46
▸ PARP14 Q460N5 1/20 0.39
▸ TDO2 P48775 5/20 0.35
▸ PRKDC P78527 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ CSF1R P07333 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ HIPK4 Q8NE63 1/20 0.32
▸ SRPK1 Q96SB4 1/20 0.32
▸ F9 P00740 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FLT4 P35916 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
SCHEMBL17081201 0.93 ALOX5 (0.46) ALOX5PARP14TDO2PRKDCEGFR
SCHEMBL25686202 0.87 PARP14 (0.40) ALOX5PARP14TDO2PRKDCEGFR
SCHEMBL21446453 0.86 PARP14 (0.49) ALOX5PARP14TDO2PRKDCEGFR
SCHEMBL21446443 0.86 CSF1R (0.35) ALOX5TDO2IDO1PDK2PTGIR
SCHEMBL17742402 0.86 PTGIR (0.44) PARP14TDO2IDO1PDK2PTGIR
SCHEMBL22245995 0.84 ALOX5 (0.47) ALOX5PARP14TDO2PRKDCEGFR
SCHEMBL21446551 0.84 PARP14 (0.44) ALOX5PARP14TDO2PRKDCIDO1
SCHEMBL17550957 0.84 ALOX5 (0.48) ALOX5PARP14TDO2PRKDCEGFR
SCHEMBL18904403 0.84 ALOX5 (0.48) ALOX5PARP14PRKDCF9
SCHEMBL21446392 0.83 PARP14 (0.43) ALOX5PARP14TDO2PRKDCIDO1

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-2017122988-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-07-20 — — WO disclosed
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