SCHEMBL7651232

SCHEMBL7651232

CCOC(=O)C(C)(C)n1c(=O)c2cc(C)ccc2n(CCCCBr)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.41
RORC P51449 2/20 0.41
RORB Q92753 2/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.38
TNF P01375 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR2 P34972 1/20 0.35
PNP P00491 1/20 0.35
NPC1 O15118 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL7653483 0.90 ALDH1A1 (0.44) RORARORCRORBALDH1A1HTT
SCHEMBL7654237 0.90 PER2 (0.38) ALDH1A1HTTTNFKDM4ELMNA
SCHEMBL7654909 0.88 POLB (0.40) RORARORCRORBPGRALDH1A1
SCHEMBL7655134 0.87 TNF (0.51) ALDH1A1HTTTNFKDM4ELMNA
SCHEMBL7648481 0.86 MAPT (0.46) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL7649601 0.86 ALDH1A1 (0.37) RORARORCRORBPGRALDH1A1
SCHEMBL7651184 0.86 ALDH1A1 (0.50) ALDH1A1HTTTNFKDM4ELMNA
SCHEMBL7654850 0.86 ALDH1A1 (0.50) ALDH1A1HTTTNFKDM4ELMNA
SCHEMBL7653084 0.84 TNF (0.52) ALDH1A1HTTTNFKDM4ELMNA
SCHEMBL7654685 0.84 PSEN1 (0.42) ALDH1A1HTTTNFKDM4ELMNA

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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed