SCHEMBL22136342

SCHEMBL22136342

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5c4sc4ccccc45)cc3-c3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ PARP14 Q460N5 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ TDO2 P48775 1/20 0.32
▸ F9 P00740 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ MAP3K8 P41279 1/20 0.30

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 0.89 ALOX5 (0.46) ALOX5PARP14PRKDCTDO2F9
SCHEMBL23372697 0.88 F9 (0.32) F9PDK2SLC9A1MAP3K8
SCHEMBL22136361 0.88 F9 (0.33) F9PDK2MAP3K8
SCHEMBL22136344 0.88 PTGIR (0.34) F9PDK2MAP3K8
SCHEMBL25124839 0.87 PARP14 (0.31) ALOX5PARP14PDK2MAP3K8
SCHEMBL22245995 0.85 ALOX5 (0.47) ALOX5PARP14PRKDCTDO2PDK2
SCHEMBL15137630 0.85 ALOX5 (0.42) ALOX5PARP14PRKDCTDO2
SCHEMBL22136581 0.84 ALOX5 (0.51) ALOX5PARP14PRKDCTDO2F9
SCHEMBL16802018 0.84 PARP14 (0.43) ALOX5PARP14PRKDCTDO2PDK2
SCHEMBL30192444 0.84 PARP14 (0.43) ALOX5PARP14PRKDCTDO2PDK2

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-2020130528-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-25 — — WO disclosed
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