SCHEMBL25682940

SCHEMBL25682940

c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ ENPP3 O14638 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TNF P01375 1/20 0.45

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
SCHEMBL17969961 0.94 MEN1 (0.50) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL17969965 0.94 MEN1 (0.50) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL18623308 0.92 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17969958 0.92 ENPP1 (0.53) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL17969975 0.92 ENPP3 (0.53) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL18623300 0.92 ALDH1A1 (0.49) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL25685272 0.90 ALDH1A1 (0.51) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL19397409 0.90 ENPP3 (0.51) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL18732401 0.90 MAPT (0.53) MEN1KMT2AENPP3ENPP1MAPT
SCHEMBL18623318 0.89 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD

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-2023112915-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-22 — — WO disclosed
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