SCHEMBL5534644

SCHEMBL5534644

N#C/C(=C\c1cn(CC(=O)O)c2ccc(F)cc12)C(=O)N(Cc1ccccc1)c1ccccc1.N#C/C(=C\c1cn(CC(=O)O)c2ccc(F)cc12)C(=O)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.71
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGDR Q13258 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2087826 0.93 PTGDR2 (0.81) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2087829 0.93 PTGDR2 (0.81) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2087867 0.90 PTGDR2 (0.80) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2087866 0.90 PTGDR2 (0.80) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5530426 0.89 PTGDR2 (0.68) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5530430 0.89 PTGDR2 (0.68) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL2087644 0.84 PTGDR2 (1.00) PTGDR2MEN1KMT2APTGDRKDM4E
SCHEMBL2087643 0.84 PTGDR2 (1.00) PTGDR2MEN1KMT2APTGDRKDM4E
SCHEMBL2088905 0.82 PTGDR2 (0.80) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2088903 0.82 PTGDR2 (0.80) PTGDR2MEN1KMT2AKDM4EALDH1A1

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
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 EP claimed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 WO claimed