SCHEMBL30435682

SCHEMBL30435682

N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccc(F)cc3)nc2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.64
PTPN1 P18031 3/20 0.57
PTPN6 P29350 1/20 0.57
PTPN11 Q06124 1/20 0.57
GRM5 P41594 6/20 0.55
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
HDAC2 Q92769 1/20 0.48
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
PTPN2 P17706 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DGAT1 O75907 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL21056011 1.00 PPARG (0.64) PPARGPTPN1PTPN6PTPN11GRM5
SCHEMBL30436845 0.91 PPARG (0.77) PPARGPTPN1PTPN6PTPN11GRM5
SCHEMBL21056021 0.91 PPARG (0.77) PPARGPTPN1PTPN6PTPN11GRM5
SCHEMBL21056012 0.89 PPARG (0.80) PPARGPTPN1PTPN6PTPN11GRM5
SCHEMBL21055977 0.87 PPARG (0.62) PPARGGRM5
SCHEMBL30437002 0.87 PPARG (0.62) PPARGGRM5
SCHEMBL30436711 0.85 PPARG (0.80) PPARGGRM5CSNK1DCSNK1EMEN1
SCHEMBL21055990 0.85 PPARG (0.80) PPARGGRM5CSNK1DCSNK1EMEN1
SCHEMBL21118349 0.82 PTPN1 (0.61) PPARGPTPN1PTPN6PTPN11GRM5
SCHEMBL21056018 0.79 PPARG (0.82) PPARGPTPN1GRM5PTPN2

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
CN-111630030-B Novel benzamide derivatives as PPAR-gamma modulators 梅迪比奥法尔玛公司 2023-06-20 CN claimed
CN-111630030-B Novel benzamide derivatives as PPAR-gamma modulators 梅迪比奥法尔玛公司 2023-06-20 CN disclosed