SCHEMBL7629159

SCHEMBL7629159

Cc1c[nH]c(C(=O)c2[nH]c3ccc(Cl)cc3c2CC(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.47
PTGS1 P23219 5/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8120959 0.91 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6169942 0.83 PTGS2 (0.52) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL6171078 0.80 PTGS2 (0.56) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL6171269 0.80 PTGS2 (0.52) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL6170615 0.80 PTGS2 (0.48) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL7629983 0.80 MAPT (0.49) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL6168630 0.80 PTGS2 (0.48) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL6170413 0.78 KDM4E (0.60) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL9449420 0.77 KDM4E (0.71) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6168395 0.77 PTGS2 (0.53) PTGS2PTGS1MAPTKDM4EMEN1

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
US-6476042-B1 Combination therapy for the treatment of migraine PFIZER INC. 2002-11-05 US claimed