SCHEMBL24801799

SCHEMBL24801799

CC(=O)c1cc(C)cc(C(F)(F)F)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CFTR P13569 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
KIF11 P52732 1/20 0.35
KMT2A Q03164 2/20 0.34
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX1 P51575 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
CES2 O00748 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL28906820 0.86 KDM4E (0.59) KDM4ECFTRKMT2AALDH1A1MEN1
SCHEMBL12245665 0.84 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2PTGS1ALDH1A1
SCHEMBL29945921 0.82 KIF11 (0.38) KDM4ECFTRKIF11KMT2APTGS1
SCHEMBL23301033 0.82 CES2 (0.44) KDM4ECFTRKIF11PTGS1ALDH1A1
SCHEMBL29656849 0.82 CES2 (0.44) KDM4ECFTRKIF11PTGS1ALDH1A1
SCHEMBL23526580 0.82 KIF11 (0.38) KDM4ECFTRKIF11KMT2APTGS1
SCHEMBL24801801 0.81 TMPRSS4 (0.39) SMN1; SMN2HTTLMNAKIF11KMT2A
SCHEMBL6119213 0.81 CFTR (0.54) KDM4ECFTRALDH1A1MAPT
SCHEMBL5403595 0.81 TMPRSS4 (0.40) KDM4ECFTRSMN1; SMN2KIF11TMPRSS4
SCHEMBL18354453 0.80 KIF11 (0.39) SMN1; SMN2HTTLMNAKIF11KMT2A

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
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed