SCHEMBL19554346

SCHEMBL19554346

COc1cc(N)c(-n2nn[nH]c2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.36
TIPARP Q7Z3E1 1/20 0.34
ILK Q13418 1/20 0.32
S100B P04271 1/20 0.31
ROCK2 O75116 1/20 0.31
NR1I2 O75469 1/20 0.31
HTR7 P34969 1/20 0.31
FLT3 P36888 1/20 0.31
CTSD P07339 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19554817 0.84
SCHEMBL19554924 0.84 NPC1 (0.45) S100BNR1I2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9730064 0.81 PPOX (0.40) TIPARPROCK2NR1I2FLT3CYP2C9
SCHEMBL19554342 0.76 TRAP1 (0.30)
SCHEMBL1944696 0.75 KCNH2 (0.38) ROCK2ALDH1A1
SCHEMBL19554937 0.73 PPOX (0.40) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5906062 0.71 MGLL (0.47) HTR7ALDH1A1
SCHEMBL9620476 0.70 ALDH1A1 (0.48) NR1I2CYP2C9ALDH1A1
SCHEMBL9730624 0.70 ALDH1A1 (0.44) NR1I2CYP2C9ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1943984 0.70 MEN1 (0.35)

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed