SCHEMBL8364294

SCHEMBL8364294

CCOC(=O)/C=C(/C)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ PPIA P62937 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ EGFR P00533 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL8364295 1.00 BRD4 (0.64) BRD4L3MBTL1TDP1PPIAPOLB
SCHEMBL11723616 0.82 GAA (0.45) BRD4L3MBTL1TDP1POLBALDH1A1
SCHEMBL11723587 0.82 GAA (0.45) BRD4L3MBTL1TDP1POLBALDH1A1
SCHEMBL5033321 0.81 IDO1 (0.48) BRD4PPIAALDH1A1KMT2ANPC1
SCHEMBL5033317 0.81 IDO1 (0.48) BRD4PPIAALDH1A1KMT2ANPC1
SCHEMBL3645648 0.81 ALDH1A1 (0.66) ALDH1A1NPC1RAB9A
SCHEMBL3645649 0.81 ALDH1A1 (0.66) ALDH1A1NPC1RAB9A
SCHEMBL5040549 0.80 MEN1 (0.55) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5040554 0.80 MEN1 (0.55) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5516774 0.80 ALDH1A1 (0.45) BRD4PPIAALDH1A1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 — — US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 — — EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 — — WO disclosed
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