SCHEMBL13565690

SCHEMBL13565690

CC(C)S(=O)(=O)Nc1ccc(CNc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL13565993 0.86 PPARA (0.55) PPARAFFAR1ALDH1A1
SCHEMBL12649969 0.84 CDK1 (0.58) FFAR1FFAR4CDK1CCNB1CCNA2
SCHEMBL11935295 0.84 LMNA (0.47) FFAR1FFAR4CDK1CCNB1CCNA2
SCHEMBL13565835 0.84 MAPT (0.47) PPARAFFAR1MAPTLMNASMN1; SMN2
SCHEMBL13565070 0.82 PPARA (0.50) PPARAFFAR1MAPTLMNASMN1; SMN2
SCHEMBL10055021 0.81 NPSR1 (0.55) PPARAFFAR1FFAR4MAPTLMNA
SCHEMBL13565502 0.81 CTPS1 (0.45) MAPTLMNAALDH1A1
SCHEMBL1391597 0.81 IDH2 (0.48) PPARAMAPTLMNAMEN1KMT2A
SCHEMBL13565062 0.81 PPARA (0.44) PPARAFFAR4MAPTLMNACYP3A4
SCHEMBL13565602 0.81 SLC22A12 (0.44) PPARAFFAR4LMNATP53

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed