SCHEMBL19001963

SCHEMBL19001963

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc(-c5ccccc5)ccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PRKDC P78527 1/20 0.31
PARP14 Q460N5 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
SCHEMBL26436153 0.95 ALOX5 (0.40) ALOX5PRKDCPARP14
SCHEMBL24905021 0.95 ALOX5 (0.41) ALOX5PRKDCPARP14
SCHEMBL18468900 0.94 ALOX5 (0.38) ALOX5PRKDCPARP14
SCHEMBL21558993 0.93 ALOX5 (0.41) ALOX5PRKDCPARP14
SCHEMBL21559482 0.93 ALOX5 (0.41) ALOX5PRKDCPARP14
SCHEMBL20127794 0.93 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL20127813 0.93 ALOX5 (0.37) ALOX5PRKDC
SCHEMBL17126741 0.93 ALOX5 (0.43) ALOX5PRKDCPARP14
SCHEMBL9916765 0.93 ALOX5 (0.42) ALOX5PRKDCPARP14
SCHEMBL17126522 0.93 ALOX5 (0.42) ALOX5PRKDCPARP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed