SCHEMBL18524318

SCHEMBL18524318

CCOC(=O)Cc1ccc(OC)c(-c2cc(F)cc3ccncc23)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.40
CCNT1 O60563 3/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
MAOB P27338 1/20 0.40
SYK P43405 1/20 0.38
DRD2 P14416 1/20 0.38
NAMPT P43490 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
MAOA P21397 2/20 0.38
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 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
SCHEMBL18524155 0.85 PTGDR2 (0.41) PTGDR2DRD2DPP4JAK2JAK1
SCHEMBL15057302 0.84 PTGDR2 (0.42) PTGDR2MAOBDRD2
SCHEMBL17061211 0.81 PTGDR2 (0.41) PTGDR2DRD2DPP4
SCHEMBL139334 0.73 PTGDR2 (0.47) PTGDR2MAOBDRD2
SCHEMBL24368273 0.72 MAOB (0.50) MAOB
SCHEMBL29518276 0.72 MAOB (0.50) MAOB
SCHEMBL7886073 0.72 HTT (0.54) DRD2
SCHEMBL17130188 0.71 L3MBTL1 (0.47) CDK9PTGDR2
SCHEMBL15056581 0.71 PTGDR2 (0.49) CDK9CCNT1PTGDR2
SCHEMBL138884 0.71 PTGDR2 (0.49) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed