SCHEMBL8997240

SCHEMBL8997240

N#Cc1cnn(-c2ccccc2)c1NC(=O)NS(=O)(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.48
PTGS2 P35354 8/20 0.48
GFER P55789 1/20 0.48
FPR1 P21462 5/20 0.43
CNKSR1 Q969H4 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL8551424 0.80 PTGS1 (0.65) PTGS1PTGS2GFERFPR1CNKSR1
SCHEMBL8552452 0.76 PTGS1 (0.62) PTGS1PTGS2GFER
SCHEMBL8554553 0.76 PTGS2 (0.66) PTGS1PTGS2GFERFPR1
SCHEMBL8554524 0.76 PTGS1 (0.62) PTGS1PTGS2GFERCNKSR1
SCHEMBL8554179 0.76 PTGS1 (0.54) PTGS1PTGS2GFERFPR1CNKSR1
SCHEMBL8997234 0.74 GFER (0.58) PTGS1PTGS2GFER
SCHEMBL8997236 0.74 PTGS1 (0.39) PTGS1PTGS2GFERFPR1
SCHEMBL8555698 0.74 PTGS1 (0.59) PTGS1PTGS2GFER
SCHEMBL8553948 0.74 PTGS1 (0.62) PTGS1PTGS2GFERFPR1CNKSR1
SCHEMBL10618154 0.72 PTGS1 (0.68) PTGS1PTGS2GFERCNKSR1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486618-A PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-23 US disclosed
EP-0561836-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
WO-1992010480-A1 SUBSTITUTED 5-AMINOPYRAZOLS BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 WO disclosed