SCHEMBL27455675

SCHEMBL27455675

c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc4c(-c5ccccc5)cccc34)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ATM Q13315 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ TNF P01375 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ENPP3 O14638 1/20 0.47
▸ ENPP1 P22413 1/20 0.47

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
SCHEMBL24582816 1.00 MAPT (0.56) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL25668538 0.98 MAPT (0.54) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL27129012 0.98 MAPT (0.54) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL23921204 0.98 MAPT (0.54) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL27129092 0.96 MAPT (0.53) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL25668530 0.96 MAPT (0.56) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL23633622 0.96 MAPT (0.56) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL21991435 0.96 HDAC8 (0.53) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL17547234 0.96 HDAC8 (0.53) MAPTSMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL24564910 0.96 MAPT (0.59) MAPTSMN1; SMN2TSHRKDM4EALDH1A1

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-2024143905-A1 ORGANIC ELECTRIC ELEMENT USING ORGANIC ELECTRIC ELEMENT COMPOUND, AND ELECTRONIC DEVICE 덕산네오룩스 주식회사 2024-07-04 — — WO disclosed
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