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SCHEMBL18697132

SCHEMBL18697132

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(-c9ccc(-c%10ccccc%10)cc9)cc8)c8ccc9c(c8)C(C)(C)c8cc(-c%10cccc%11c%10sc%10ccccc%10%11)ccc8-9)ccc6-7)c5)cc4-c4ccccc4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.42
▸ PRKDC P78527 1/20 0.34
▸ PARP14 Q460N5 1/20 0.32
▸ F9 P00740 1/20 0.31
▸ ALK Q9UM73 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL18697107 0.98 ALOX5 (0.44) ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916779 0.97 ALOX5 (0.45) ALOX5PRKDCPARP14F9PDK2
SCHEMBL9916776 0.96 ALOX5 (0.43) ALOX5PRKDCPARP14F9ALK
SCHEMBL9916760 0.96 ALOX5 (0.43) ALOX5PRKDCPARP14F9ALK
SCHEMBL17126737 0.96 ALOX5 (0.46) ALOX5PRKDCPARP14F9ALK
SCHEMBL17126733 0.96 ALOX5 (0.46) ALOX5PRKDCPARP14F9ALK
SCHEMBL9916780 0.96 ALOX5 (0.46) ALOX5PRKDCPARP14F9ALK
SCHEMBL9916768 0.96 ALOX5 (0.43) ALOX5PRKDCPARP14F9ALK
SCHEMBL9916761 0.96 ALOX5 (0.43) ALOX5PRKDCPARP14F9ALK
SCHEMBL9916461 0.95 ALOX5 (0.45) ALOX5PRKDCPARP14F9PDK2

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
US-9614160-B2 Aromatic amine derivatives and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2017-04-04 — — US disclosed