SCHEMBL24469334

SCHEMBL24469334

c1ccc(-c2cc(-c3c4ccccc4c(-c4cccc5sc6c7ccccc7ccc6c45)c4ccccc34)ccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c4c3sc3c5ccccc5ccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.39
CYP1B1 Q16678 5/20 0.39
F9 P00740 1/20 0.36
CYP1A2 P05177 3/20 0.34
ALOX5 P09917 1/20 0.33
LIMK1 P53667 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SOS1 Q07889 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL24481922 0.94 CYP1A1 (0.43) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24469299 0.90 CYP1A1 (0.40) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24481926 0.88 CYP1A1 (0.45) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24454793 0.88 ALOX5 (0.33) F9ALOX5LIMK1
SCHEMBL24735351 0.88 CYP1A1 (0.39) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24469342 0.87 CYP1A1 (0.43) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL27335334 0.87 CYP1A1 (0.43) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24469233 0.87 CYP1A1 (0.42) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24469231 0.83 CYP1A1 (0.44) CYP1A1CYP1B1F9CYP1A2ALOX5
SCHEMBL24469337 0.83 CYP1A1 (0.46) CYP1A1CYP1B1F9CYP1A2ALOX5

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-20220173334-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS EQUIPPED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-06-02 US disclosed