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SCHEMBL19595665

SCHEMBL19595665

C1=CCCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccccc4N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)=C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ PPARG P37231 7/20 0.33
▸ PPARA Q07869 7/20 0.33
▸ 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
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 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
SCHEMBL22538917 0.89 — —
SCHEMBL13190815 0.88 SIGMAR1 (0.33) —
SCHEMBL18872362 0.86 SIGMAR1 (0.34) —
SCHEMBL10029773 0.86 SIGMAR1 (0.34) —
SCHEMBL19942426 0.86 KDM4E (0.30) CYP2C9CYP2C19CYP1A2
SCHEMBL22756023 0.84 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL16385507 0.83 CA12 (0.45) CA12CA1CA2CA9PPARG
SCHEMBL24609313 0.83 CA12 (0.31) CA12CA1CA2CA9PPARG
SCHEMBL13777132 0.83 SIGMAR1 (0.30) —
SCHEMBL17779969 0.82 CA12 (0.44) CA12CA1CA2CA9PPARG

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-3244464-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2017-11-15 — — EP disclosed