SCHEMBL28115527

SCHEMBL28115527

NCc1cc(NCC(F)(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
PNMT P11086 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.34
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33
IL1B P01584 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL28009482 0.80 MAPT (0.49) ARMAPTMEN1KMT2AATM
SCHEMBL18300960 0.76 RAPGEF4 (0.40) ARMAPTMEN1KMT2AATM
SCHEMBL453843 0.76 IL1B (0.43) ARMAPTMEN1KMT2AATM
SCHEMBL28114122 0.74 MAPT (0.47) PNMTMAPTMEN1KMT2AATM
SCHEMBL27264472 0.73 PNMT (0.43) PNMTL3MBTL1CYP3A4ALDH1A1DPP4
SCHEMBL9189930 0.72 IL1B (0.43) ARMAPTMEN1KMT2AIL1B
SCHEMBL10426372 0.70 SMN1; SMN2 (0.44) ARMEN1KMT2AIL1BNLRP3
SCHEMBL856434 0.69 PNMT (0.43) PNMTMAPTMEN1KMT2AATM
SCHEMBL3290963 0.69 SLC22A12 (0.47) ARMAPT
SCHEMBL28009497 0.69 IL1B (0.36) ARMAPTMEN1KMT2AIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132928-A Novel anil, medical composition and its use containing described derivant 橘生药品工业株式会社 2016-11-16 CN disclosed