SCHEMBL7651760

SCHEMBL7651760

CC(C)(C(=O)OCC(=O)c1ccccc1)n1c(=O)c2cc(F)ccc2n(CCCCBr)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.40
CNR2 P34972 2/20 0.40
PLK1 P53350 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACACB O00763 1/20 0.36
PER2 O15055 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
PADI4 Q9UM07 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
SCHEMBL7650555 0.90 ALDH1A1 (0.35) CNR2KMT2AMEN1LMNAGAA
SCHEMBL7654909 0.90 POLB (0.40) PTGDR2CNR2KMT2A
SCHEMBL7650485 0.89 HDAC1 (0.38) PTGDR2CNR2HDAC1HDAC6KMT2A
SCHEMBL7651131 0.89 CNR2 (0.42) CNR2KMT2AMEN1LMNA
SCHEMBL7653503 0.87 ALDH1A1 (0.37) CNR2KMT2AMEN1
SCHEMBL7654237 0.87 PER2 (0.38) PTGDR2CNR2ACACBPER2LMNA
SCHEMBL7649498 0.84 HDAC6 (0.40) CNR2HDAC1HDAC8HDAC6KMT2A
SCHEMBL7651764 0.83 ALDH1A1 (0.35) CNR2KMT2AMEN1LMNAGAA
SCHEMBL7651781 0.82 KCNA3 (0.39) CNR2KMT2AMEN1GAA
SCHEMBL7651232 0.77 RORA (0.41) CNR2KMT2AMEN1LMNA

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