SCHEMBL3266669

SCHEMBL3266669

N#C/C(=C\c1cn(CC(=O)O)c2ccc(Br)cc12)C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.58
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.48
SLC16A1 P53985 1/20 0.46

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
SCHEMBL3266672 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3275553 0.87 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3275549 0.87 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3268396 0.84 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3268392 0.84 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086842 0.83 PTGDR2 (0.79) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2086840 0.83 PTGDR2 (0.79) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3274557 0.80 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3274553 0.80 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL2090192 0.79 PTGDR2 (0.38) PTGDR2ALDH1A1KDM4EMAPTGAA

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-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed