SCHEMBL1062227

SCHEMBL1062227

CNC(=O)c1c(C)cccc1Nc1cc(Cl)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.48
PPARG P37231 12/20 0.48
RXRA P19793 6/20 0.48
RXRB P28702 5/20 0.48
PPARD Q03181 4/20 0.48
RXRG P48443 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGES O14684 4/20 0.41
ALOX5 P09917 4/20 0.41
FABP3 P05413 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
SCHEMBL10997703 0.79 PPARA (0.58) PPARAPPARGRXRARXRBPPARD
SCHEMBL375419 0.75 ULK1 (0.51)
SCHEMBL12311824 0.71 ULK1 (0.57)
SCHEMBL353666 0.70 L3MBTL1 (0.46) KDM4EALDH1A1HPGD
SCHEMBL11101428 0.70 KMT2A (0.71) PPARAPPARGRXRARXRBPPARD
SCHEMBL12571001 0.69 ULK1 (0.47) KMT2A
Acetic Acid SCHEMBL3773388 0.68 PPARA (0.61) PPARAPPARGRXRARXRBPPARD
SCHEMBL23718206 0.68 MEN1 (0.57) KDM4EMEN1ALDH1A1CYP3A4ALOX15
SCHEMBL4572913 0.68 KMT2A (0.42) PPARAPPARGRXRARXRBPPARD
SCHEMBL18153262 0.67 SLC2A1 (0.53) PPARAPPARGRXRARXRBPPARD

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
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 EP disclosed