SCHEMBL8535741

SCHEMBL8535741

O=c1c(Cl)c(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPBWR1 P48145 1/20 0.39
CREBBP Q92793 3/20 0.39
KIF11 P52732 1/20 0.39
CHRM5 P08912 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
KLKB1 P03952 2/20 0.37
KCNH2 Q12809 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL8513871 0.89 MAT2A (0.46) ABL1BCRNPBWR1CREBBPKIF11
SCHEMBL8531391 0.87 CREBBP (0.40) ABL1BCRCREBBPKIF11CHRM5
SCHEMBL19002099 0.87 KDM5B (0.42) ABL1BCRCREBBPKIF11CHRM5
SCHEMBL8537027 0.84 ALDH1A1 (0.41) CREBBPMAPK8MAPK10KLKB1ADORA3
SCHEMBL8534905 0.83 CTSV (0.47) ABL1BCRCREBBPKIF11CHRM5
SCHEMBL8537609 0.82 KIF11 (0.44) KIF11CHRM5HCRTR1HCRTR2
SCHEMBL8533234 0.80 MAT2A (0.49) ABL1BCRCREBBPCHRM5KLKB1
SCHEMBL8536502 0.80 MAT2A (0.43) ABL1BCRCREBBPCHRM5KLKB1
SCHEMBL19002091 0.80 MAT2A (0.44) ABL1KIF11CHRM5KCNH2ADORA2A
SCHEMBL8537370 0.78 MAT2A (0.43) ABL1BCRCREBBPCHRM5KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed