SCHEMBL6236337

SCHEMBL6236337

CCCCCNc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABL1 P00519 1/20 0.46
KIF11 P52732 2/20 0.46
KCNH3 Q9ULD8 1/20 0.44
MCHR1 Q99705 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
HDAC1 Q13547 1/20 0.42
AR P10275 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.41
MLYCD O95822 1/20 0.41
TRPA1 O75762 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL21542302 0.98 MEN1 (0.54) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL8178051 0.94 MEN1 (0.61) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL4268165 0.86 MEN1 (0.59) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL1241959 0.85 ABL1 (0.56) LMNAABL1KCNH3
SCHEMBL19822990 0.84 KMT2A (0.52) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL2720066 0.83 ABL1 (0.59) ABL1KCNH3PLK1
SCHEMBL11498100 0.83 ABL1 (0.59) ABL1KCNH3PLK1
SCHEMBL187892 0.83 ABL1 (0.59) ABL1KCNH3PLK1
SCHEMBL16439908 0.83 ABL1 (0.59) ABL1KCNH3PLK1
SCHEMBL3395174 0.83 ABL1 (0.59) ABL1KCNH3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111019025-B High-purity polypropylene polymerization method 北方华锦化学工业股份有限公司 2022-05-17 CN disclosed
CN-111019025-A High-purity polypropylene polymerization method 北方华锦化学工业股份有限公司 2020-04-17 CN disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 WO disclosed