SCHEMBL6738356

SCHEMBL6738356

CN(C)C(F)(F)N(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.36
NR1H3 Q13133 3/20 0.35
POLQ O75417 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL4033878 0.80 MEN1 (0.42) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL5715796 0.78 MEN1 (0.41) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL28357481 0.76 MEN1 (0.39) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL6792995 0.73 MEN1 (0.37) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL25137312 0.72 MEN1 (0.44) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL95298 0.72 MEN1 (0.44) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL1852218 0.71
SCHEMBL27989762 0.70 MEN1 (0.42) KCNN4MEN1KMT2AHTTALDH1A1
Hydrochloric Acid SCHEMBL28043572 0.69 MEN1 (0.46) KCNN4MEN1KMT2AHTTALDH1A1
SCHEMBL21120529 0.68 MEN1 (0.41) KCNN4MEN1KMT2AHTTALDH1A1

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
US-6686509-B2 Process for producing α, α-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2004-02-03 US disclosed
US-20030078460-A1 Process for producing alpha, alpha-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed