SCHEMBL25751839

SCHEMBL25751839

C1=CC(c2cc(N(c3ccc(-c4ccccc4-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccccc2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 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
PPARG P37231 10/20 0.31
PPARA Q07869 10/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TNF P01375 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PPARD Q03181 1/20 0.31
CYP1A2 P05177 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL25751174 0.91 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL25751218 0.91 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL25751222 0.91 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL22809392 0.91 CA12 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24999265 0.88 CA12 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL22809440 0.87 MCL1 (0.31) MCL1ACMSDCA12CA1CA2
SCHEMBL22060584 0.86
SCHEMBL25000733 0.85 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL24112185 0.84 MCL1 (0.31) MCL1ACMSDCA12CA1CA2
SCHEMBL19393512 0.84 KDM4E (0.30) CYP2C9CYP2C19CYP1A2

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
EP-4198104-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2023-06-21 EP disclosed