SCHEMBL26588239

SCHEMBL26588239

c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc5c4sc4ccccc45)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.36
ALOX5 P09917 1/20 0.36
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
LIMK1 P53667 1/20 0.32
SLC9A1 P19634 1/20 0.31
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TNF P01375 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARD Q03181 1/20 0.30
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
SCHEMBL26588186 0.99 F9 (0.37) F9ALOX5CA12CA1CA2
SCHEMBL26568545 0.97 ALOX5 (0.38) F9ALOX5LIMK1SLC9A1PARP14
SCHEMBL26588245 0.95 ALOX5 (0.39) F9ALOX5CA12CA1CA2
SCHEMBL22837562 0.95 F9 (0.38) F9ALOX5CA12CA1CA2
SCHEMBL26584946 0.94 ALOX5 (0.43) F9ALOX5LIMK1SLC9A1PARP14
SCHEMBL22837500 0.93 F9 (0.39) F9ALOX5CA12CA1CA2
SCHEMBL22837590 0.93 ALOX5 (0.40) F9ALOX5LIMK1SLC9A1PARP14
SCHEMBL26569840 0.92 ALOX5 (0.37) F9ALOX5LIMK1SLC9A1PARP14
SCHEMBL21096898 0.92 ALOX5 (0.41) F9ALOX5LIMK1SLC9A1PARP14
SCHEMBL26584939 0.92 ALOX5 (0.36) F9ALOX5LIMK1PARP14

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
WO-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed