SCHEMBL7467641

SCHEMBL7467641

NC(=O)c1[c]ccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
EPHX2 P34913 1/20 0.39
CHEK1 O14757 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
EPHX1 P07099 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ALPL P05186 1/20 0.36
NOTUM Q6P988 1/20 0.36
GPR3 P46089 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PLA2G10 O15496 2/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36

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
SCHEMBL8459627 0.83 MRGPRX4 (0.44) PIM1EPHX2KDM4EGAAKMT2A
SCHEMBL18554580 0.77 PARP1 (0.50) KDM4E
SCHEMBL3076523 0.74 GPR3 (0.40) PIM1EPHX2GAASLC6A2NOTUM
SCHEMBL27035492 0.74 GPR3 (0.40) PIM1GAASLC6A2GPR3
SCHEMBL5780333 0.73 ALDH1A1 (0.41) PIM1KDM4EKMT2AEPHX1
SCHEMBL622940 0.72 GPR3 (0.41) PIM1EPHX2KDM4EGAASLC6A2
SCHEMBL407346 0.72 GPR3 (0.41) PIM1EPHX2KDM4EGAASLC6A2
SCHEMBL6518415 0.71 CHEK1 (0.49) PIM1EPHX2CHEK1ABL1BCR
SCHEMBL5785345 0.71 DYRK1A (0.50) EPHX2GAA
SCHEMBL1066922 0.71 GPR3 (0.40) PIM1EPHX2KDM4EGAASLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed