SCHEMBL7855091

SCHEMBL7855091

CCOC(=O)CN(C)C(=O)c1ccncc1C(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL7843266 0.86 MMP13 (0.44) L3MBTL1MAPTKMT2ALMNANPSR1
SCHEMBL7856970 0.85 HPGD (0.41) LTA4HL3MBTL1KMT2ANPSR1MEN1
SCHEMBL8785261 0.84 LMNA (0.46) L3MBTL1MAPTKMT2ALMNANPSR1
SCHEMBL7853546 0.80 MAPT (0.40) CXCR1CXCR2L3MBTL1MAPTKMT2A
SCHEMBL7851483 0.78 MAPT (0.40) LTA4HCXCR1CXCR2L3MBTL1MAPT
SCHEMBL7854914 0.77 MAPT (0.39) CXCR1CXCR2L3MBTL1MAPTKMT2A
SCHEMBL27569909 0.77 LTA4H (0.42) LTA4HCXCR1CXCR2MAPTKMT2A
SCHEMBL7850534 0.77 KDM4E (0.39) CXCR1CXCR2L3MBTL1MAPTKMT2A
SCHEMBL7852199 0.75 MAPT (0.38) CXCR1CXCR2L3MBTL1MAPTKMT2A
SCHEMBL30038114 0.73 HTT (0.50) L3MBTL1MAPTKMT2ALMNANPSR1

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
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed