SCHEMBL3844552

SCHEMBL3844552

CC(C)(Sc1cccc(CCCCNc2nn(CCCC(F)(F)F)c(=O)n(Cc3ccccc3)c2=O)c1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.34
TPSAB1 Q15661 1/20 0.34
LMNA P02545 2/20 0.33
PPARA Q07869 4/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
F2 P00734 3/20 0.33
F7 P08709 3/20 0.33
F3 P13726 3/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MDM2 Q00987 1/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3841181 0.91 MAOA (0.35) SLC22A12PPARAPPARDMAOAMAOB
SCHEMBL3284681 0.91 KMT2A (0.36) TPSAB1LMNAPPARAPPARGPPARD
SCHEMBL3844324 0.91 PPARG (0.38) PPARAPPARGPPARDTP53
SCHEMBL3842827 0.90 PPARG (0.40) SLC22A12PPARAPPARGPPARDTP53
SCHEMBL3285913 0.89 TPSAB1 (0.32) SLC22A12TPSAB1PPARAPPARGPPARD
SCHEMBL3842355 0.85 PPARG (0.41) PPARAPPARGPPARDTP53POLB
SCHEMBL3841355 0.85 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL3843417 0.85 PPARA (0.44) SLC22A12PPARAPPARGPPARDTP53
SCHEMBL3843493 0.84 PPARG (0.37) PPARAPPARGPPARDTP53
SCHEMBL3841112 0.83 PPARG (0.39) PPARAPPARGPPARDTP53POLB

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed