SCHEMBL30257656

SCHEMBL30257656

c1ccc2c(-c3ccc4c(c3)sc3c5ccc(-c6cccc7ccccc67)cc5sc43)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
ACMSD Q8TDX5 1/20 0.45
ALOX5 P09917 1/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
LIMK1 P53667 3/20 0.43
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
F9 P00740 1/20 0.39
TLR8 Q9NR97 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL18429704 1.00 MCL1 (0.45) MCL1ACMSDALOX5CA12CA1
SCHEMBL18470270 0.95 CA12 (0.44) MCL1ACMSDALOX5CA12CA1
SCHEMBL23555888 0.93 CA12 (0.49) MCL1ACMSDALOX5CA12CA1
SCHEMBL18470277 0.93 CA12 (0.49) MCL1ACMSDALOX5CA12CA1
SCHEMBL31442400 0.89 MCL1 (0.47) MCL1ACMSDALOX5CA12CA1
SCHEMBL13507982 0.89 MCL1 (0.42) MCL1ACMSDALOX5CA12CA1
SCHEMBL17945091 0.85 ALOX5 (0.50) MCL1ACMSDALOX5CA12CA1
SCHEMBL13508186 0.85 CA12 (0.45) MCL1ACMSDALOX5CA12CA1
SCHEMBL24073747 0.85 ALOX5 (0.43) MCL1ACMSDALOX5CA12CA1
SCHEMBL23555752 0.84 ALOX5 (0.49) ALOX5LIMK1F9PRKDC

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
CN-109791984-B Material for photoelectric conversion element for imaging element and photoelectric conversion element containing same 日本化药株式会社 2023-02-07 CN disclosed