SCHEMBL29632181

SCHEMBL29632181

c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
ATM Q13315 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CDC25B P30305 1/20 0.48
PPARG P37231 7/20 0.48
PPARA Q07869 7/20 0.48
TNF P01375 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL29772984 1.00 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL22579723 1.00 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL14145683 1.00 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL14188198 1.00 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL29407327 1.00 CA12 (0.51) CA12CA1CA2CA9HDAC8
SCHEMBL24911361 0.96 HDAC8 (0.50) CA12CA1CA2CA9HDAC8
SCHEMBL10136282 0.96 HSD17B10 (0.53) CA12CA1CA2CA9HDAC8
SCHEMBL22954301 0.96 HDAC8 (0.50) CA12CA1CA2CA9HDAC8
SCHEMBL30724550 0.96 HSD17B10 (0.53) CA12CA1CA2CA9HDAC8
SCHEMBL30800492 0.96 CA12 (0.54) CA12CA1CA2CA9HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206837-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2025-06-13 CN disclosed
CN-116530235-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2023-08-01 CN disclosed
WO-2022114115-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-06-02 WO disclosed