SCHEMBL22922971

SCHEMBL22922971

C=C/C(=C\C=C(/C)c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.31
▸ HPGD P15428 2/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ CCR6 P51684 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ AGTR1 P30556 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
SCHEMBL21011049 0.87 — —
SCHEMBL16417807 0.85 SIGMAR1 (0.39) ALDH1A1KMT2A
SCHEMBL19099541 0.85 MAPT (0.32) MAPTSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL19836357 0.83 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL19150798 0.83 KAT6A (0.32) MAPTALDH1A1LMNA
SCHEMBL23486836 0.82 KDM4E (0.36) KMT2AL3MBTL1KDM4E
SCHEMBL24445383 0.82 KDM4E (0.36) KMT2AL3MBTL1KDM4E
SCHEMBL26318227 0.82 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL21146759 0.81 CYP2C9 (0.38) —
SCHEMBL19149741 0.81 ALDH1A1 (0.35) MAPTALDH1A1HPGDLMNAMEN1

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-3189551-B1 FORMULATIONS AND METHOD OF PRODUCING AN ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2021-01-27 — — EP disclosed
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