SCHEMBL30775092

SCHEMBL30775092

Clc1cccc(-c2ccc(C3=NN(c4cccc(-c5ccccc5)c4)NC(c4ccccc4)=C3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ GLA P06280 4/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ GAA P10253 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ ALOX12 P18054 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL25296787 0.90 MAOA (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29134687 0.86 TET2 (0.36) MEN1KMT2AALDH1A1GRM5GAA
SCHEMBL10589863 0.85 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25292308 0.84 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30051370 0.84 HTR1A (0.40) ALDH1A1GRM5ATMHTTTP53
SCHEMBL25291740 0.82 CYP1A2 (0.44) ALDH1A1GLAGAAL3MBTL1SMN1; SMN2
SCHEMBL7259734 0.80 LMNA (0.41) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL15453282 0.79 KDM4E (0.39) GLAGAAL3MBTL1SMN1; SMN2SCN2A
SCHEMBL16892802 0.79 DCTPP1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29035491 0.79 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2KDM4ELMNA

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
CN-117343102-A Compound, organic electroluminescent device and display device SK株式会社 2024-01-05 — — CN disclosed
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