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Sugi Predict / Compounds / SCHEMBL2214749

SCHEMBL2214749

SCHEMBL2214749

COc1c2ccccc2c(-c2ccc(Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c2)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.33
▸ CDC25B P30305 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 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
SCHEMBL2214751 0.84 ALDH1A1 (0.39) CYP2D6KDM4EALDH1A1MAPTHPGD
SCHEMBL7689154 0.84 PTGS2 (0.30) —
SCHEMBL6478736 0.81 CYP19A1 (0.35) CYP2D6KDM4EALDH1A1MAPTHPGD
SCHEMBL6033523 0.79 MAPT (0.46) KDM1ACYP2D6KDM4EALDH1A1MAPT
SCHEMBL7690417 0.76 ALOX5 (0.31) ALDH1A1MAPT
SCHEMBL2085035 0.75 CYP19A1 (0.44) CYP2D6KDM4EALDH1A1MAPT
SCHEMBL7686626 0.74 — —
SCHEMBL9971838 0.74 CYP19A1 (0.42) CYP2D6KDM4EALDH1A1MAPT
SCHEMBL12774521 0.74 CYP19A1 (0.42) CYP2D6KDM4EALDH1A1MAPT
SCHEMBL9971759 0.73 CYP19A1 (0.44) CYP2D6KDM4EALDH1A1MAPTHPGD

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
EP-1195422-B1 THIN FILM EL DEVICE PANASONIC CORP (JP) 2011-07-27 — — EP disclosed
EP-1195422-A1 THIN FILM EL DEVICE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2002-04-10 — — EP disclosed