SCHEMBL3275553

SCHEMBL3275553

Cc1ccc2c(c1)c(C=C(C#N)C(=O)Cl)cn2CC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.70
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3275549 1.00 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3274553 0.91 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3274557 0.91 PTGDR2 (0.70) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3266672 0.87 PTGDR2 (0.58) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3266669 0.87 PTGDR2 (0.58) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3268396 0.84 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL3268392 0.84 PTGDR2 (0.72) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2088317 0.83 MEN1 (0.79) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2088320 0.83 MEN1 (0.79) PTGDR2MEN1KMT2AALDH1A1GAA
SCHEMBL2087962 0.80 PTGDR2 (0.47) PTGDR2MEN1KMT2AALDH1A1KDM4E

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