SCHEMBL26626349

SCHEMBL26626349

Clc1ccc2oc3cc(N(c4ccccc4)c4ccccc4)ccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 9/20 0.56
▸ TTR P02766 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ TNKS O95271 1/20 0.42
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22505837 0.94 AHR (0.60) AHRTTRADORA3TNKSCA1
SCHEMBL23515770 0.89 MAPT (0.42) AHRTTRALDH1A1KDM4EMEN1
SCHEMBL21966401 0.89 MAPT (0.42) AHRTTRALDH1A1KDM4EMEN1
SCHEMBL18927739 0.89 MAPT (0.42) AHRTTRALDH1A1KDM4EMEN1
SCHEMBL22505848 0.89 AHR (0.54) AHRTTRADORA3TNKSCA1
SCHEMBL22505958 0.87 AHR (0.55) AHRTTRADORA3TNKSCA1
SCHEMBL22506061 0.87 AHR (0.55) AHRTTRADORA3TNKSCA1
SCHEMBL20871985 0.87 AHR (0.58) AHRTTRALDH1A1KDM4EMEN1
SCHEMBL26104122 0.86 AHR (0.53) AHRADORA3TNKSCA1CA2
SCHEMBL21966353 0.86 MAPT (0.47) AHRTTRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211213-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-11-02 — — WO disclosed
WO-2023211213-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2023-11-02 — — WO disclosed
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