SCHEMBL24469299

SCHEMBL24469299

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8sc9c%10ccccc%10ccc9c78)c7ccccc67)cc5)c5sc6c7ccccc7ccc6c45)c4ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
CYP1A2 P05177 3/20 0.34
LIMK1 P53667 2/20 0.34
F9 P00740 1/20 0.34
ALOX5 P09917 1/20 0.34
ENPP1 P22413 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
SOS1 Q07889 1/20 0.31
MCL1 Q07820 1/20 0.31
TNF P01375 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
SCHEMBL21687083 0.93 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24735351 0.92 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469327 0.90 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469334 0.90 CYP1A1 (0.39) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL18266968 0.90 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469233 0.89 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469323 0.89 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469328 0.89 CYP1A1 (0.44) CYP1A1CYP1B1CYP1A2LIMK1ENPP1
SCHEMBL24469228 0.88 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL24469337 0.88 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2LIMK1F9

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