SCHEMBL22245995

SCHEMBL22245995

CC1(C)c2ccccc2-c2ccc(-c3cccc(Nc4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ PARP14 Q460N5 1/20 0.37
▸ PRKDC P78527 2/20 0.37
▸ TDO2 P48775 3/20 0.34
▸ PDK2 Q15119 8/20 0.33
▸ EGFR P00533 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ BRD4 O60885 3/20 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
SCHEMBL17692347 0.91 ALOX5 (0.53) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL17167390 0.91 ALOX5 (0.56) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL30186865 0.90 ALOX5 (0.57) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL16110376 0.90 ALOX5 (0.57) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL17081201 0.89 ALOX5 (0.46) ALOX5PARP14PRKDCTDO2PDK2
SCHEMBL17692378 0.89 ALOX5 (0.51) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL17692371 0.88 ALOX5 (0.50) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL15893247 0.87 ALOX5 (0.51) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL14101660 0.87 ALOX5 (0.59) ALOX5PARP14PRKDCPDK2BRD4
SCHEMBL15137630 0.87 ALOX5 (0.42) ALOX5PARP14PRKDCTDO2EGFR

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-2020149711-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2020-07-23 — — WO disclosed
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