SCHEMBL7474112

SCHEMBL7474112

CC(=O)Nc1[c]cccc1OC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.34
RECQL P46063 1/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MLYCD O95822 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7476286 0.86 ALDH1A1 (0.36) HSD17B10RECQLELANELMNAGAA
SCHEMBL7471949 0.83 HSD17B10 (0.42) POLBKDM4EHSD17B10LMNAGAA
SCHEMBL7474651 0.79 MAPK1 (0.43) L3MBTL1POLBKDM4EHSD17B10LMNA
SCHEMBL7594026 0.77 ELANE (0.35) ELANE
SCHEMBL7475976 0.75 SLC6A3 (0.35) L3MBTL1ELANETSHRMLYCDCYP1A2
SCHEMBL5475468 0.72 SMN1; SMN2 (0.44) L3MBTL1POLBKDM4EHSD17B10LMNA
SCHEMBL7474826 0.71 ALDH1A1 (0.40) KDM4EHSD17B10RECQLLMNAGAA
SCHEMBL28404237 0.70 ELANE (0.47) KDM4EHSD17B10ELANEGAATSHR
SCHEMBL7474735 0.70 HSD17B10 (0.41) L3MBTL1POLBKDM4EHSD17B10LMNA
SCHEMBL10766968 0.70 ALDH1A1 (0.50) L3MBTL1POLBHSD17B10GAAALOX15

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