SCHEMBL28665319

SCHEMBL28665319

COC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
ESRRA P11474 1/20 0.47
ABL1 P00519 1/20 0.47
MAPK10 P53779 2/20 0.44
MAPT P10636 2/20 0.44
CFTR P13569 2/20 0.43
TLR8 Q9NR97 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL696042 0.87 XDH (0.48) ESRRAMAPTCFTRTDP1KDM4E
SCHEMBL22407046 0.86 AR (0.49) ARMAPK10TLR8FLT1FLT4
SCHEMBL29741809 0.86 AR (0.54) ARESRRAMAPK10MAPTTLR8
SCHEMBL14645660 0.86 AR (0.54) ARESRRAMAPK10MAPTTLR8
SCHEMBL29093106 0.85 AR (0.56) ARTLR8TDP1FLT1FLT4
SCHEMBL31107112 0.85 AR (0.48) ARMAPTKDM4EALDH1A1MAPK1
SCHEMBL2798818 0.85 ABL1 (0.58) ABL1MAPTCFTRFLT1FLT4
SCHEMBL22406885 0.84 AR (0.47) ARMAPK10TLR8FLT1FLT4
SCHEMBL28661823 0.84 AR (0.55) ARMAPK10TLR8FLT1FLT4
SCHEMBL28036772 0.82 AR (0.56) ARESRRAMAPK10TLR8FLT1

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
CN-113666819-B Method for preparing penconazole intermediate 帕潘纳(北京)科技有限公司 2024-06-21 CN disclosed
CN-113666819-A Method for preparing chlorofluoromethrizole intermediate 帕潘纳(北京)科技有限公司 2021-11-19 CN disclosed