SCHEMBL6579922

SCHEMBL6579922

CSc1ccc(-c2cnc(Cl)n2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 2/20 0.38
FGFR1 P11362 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.36
AVPR1A P37288 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6290551 0.87 PTGS2 (0.49) PTGS2PTGS1ALDH1A1TSHRMAPT
SCHEMBL6294278 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6290668 0.77 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL19953204 0.76 PTGS2 (0.49) PTGS2ALDH1A1MAPTHPGDNPSR1
SCHEMBL8642483 0.71 NPC1 (0.50) PTGS2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL6294273 0.70 FGFR1 (0.46) PTGS2PTGS1FGFR1MAOBALDH1A3
SCHEMBL6291053 0.70 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6290674 0.69 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL28376155 0.68 HCAR1 (0.38) PTGS2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19953198 0.68 PTGS2 (0.68) PTGS2PTGS1MEN1TSHRKMT2A

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-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed