SCHEMBL22779277

SCHEMBL22779277

C/C=C\C=C(/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ APAF1 O14727 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ PTBP1 P26599 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GALK1 P51570 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ SMAD3 P84022 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL18854962 0.86 MAPT (0.33) EGFRMAPTSMN1; SMN2PTGS2ALDH1A1
SCHEMBL21698332 0.85 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL23073559 0.81 EGFR (0.31) EGFRPTGS2
SCHEMBL17918118 0.79 MAPT (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL17917895 0.79 MAPT (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL27269842 0.79 MAPT (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL17917977 0.79 MAPT (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL17917804 0.79 MAPT (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1HPGD
SCHEMBL24685146 0.78 — —
SCHEMBL24946423 0.78 MAPT (0.37) EGFRMAPTSMN1; SMN2ALDH1A1HPGD

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
EP-3750971-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC Co., Ltd. (KR) 2020-12-16 — — EP disclosed
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