SCHEMBL8423929

SCHEMBL8423929

O=S(=O)(Nn1nc(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.51
HSD11B1 P28845 1/20 0.50
PTGS2 P35354 4/20 0.46
GLO1 Q04760 1/20 0.41
ACLY P53396 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41
GRM5 P41594 1/20 0.41
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
PTGS1 P23219 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8420260 0.94 NPY5R (0.47) NPY5RHSD11B1PTGS2PTGS1
SCHEMBL8424151 0.94 NPY5R (0.47) NPY5RHSD11B1PTGS2PTGS1
SCHEMBL8641577 0.89 PTGS2 (0.49) NPY5RHSD11B1PTGS2ACLYPTGES2
SCHEMBL8422371 0.87 MAPT (0.45) NPY5RHSD11B1CYP2C9MEN1KMT2A
SCHEMBL8422144 0.86 MAPT (0.45) NPY5RPTGS2CYP2C9MEN1KMT2A
SCHEMBL8421075 0.85 KDM1A (0.48) NPY5RHSD11B1ACLYPTGES2MEN1
SCHEMBL8420766 0.85 KDM1A (0.46) NPY5RACLYPTGES2MEN1KMT2A
SCHEMBL8639178 0.85 PTGS2 (0.43) NPY5RHSD11B1PTGS2ACLYPTGES2
SCHEMBL8421857 0.84 UQCRB (0.43) NPY5RPTGS2CYP2C9MEN1KMT2A
SCHEMBL8421776 0.84 KDM1A (0.47) PTGS2MEN1KMT2APTGS1

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-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed