SCHEMBL8537802

SCHEMBL8537802

O=c1cc(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 8/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.41
PDE10A Q9Y233 2/20 0.40

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
SCHEMBL8535774 0.87 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8538008 0.84 CTSV (0.63) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20983235 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8531701 0.82 ALDH1A1 (0.57) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8535103 0.76 TUBB4A (0.48) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8534119 0.76 IMPDH2 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL26847003 0.75 HPGD (0.68) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8535293 0.72 MAT2A (0.48) NPC1
SCHEMBL8532528 0.72 MAT2A (0.48) NPC1
SCHEMBL8535303 0.70 MAT2A (0.55) SMN1; SMN2

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
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