SCHEMBL25089633

SCHEMBL25089633

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ENPP3 O14638 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
HPRT1 P00492 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL25089152 0.99 CA12 (0.36) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26060380 0.98 MCL1 (0.33) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26059888 0.98 MCL1 (0.33) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26059365 0.97 MCL1 (0.33) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26060454 0.96 CA12 (0.36) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26060006 0.96 CA12 (0.36) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL26060975 0.96 CHRNB4 (0.35) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL17081296 0.95 CA12 (0.35) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL21124232 0.95 MCL1 (0.37) ENPP1MCL1ACMSDENPP3CA12
SCHEMBL30067216 0.95 MCL1 (0.37) ENPP1MCL1ACMSDENPP3CA12

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-2023027173-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-03-02 WO disclosed