SCHEMBL10474201

SCHEMBL10474201

O=c1oc(-c2ccccc2Cl)nn1-c1c(F)cc(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 3/20 0.39
MAT2A P31153 1/20 0.39
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 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
SCHEMBL10475390 0.80 MAPT (0.53) KMT2AMAPTMAT2AL3MBTL1GAA
SCHEMBL10475286 0.78 KCNN4 (0.48) KMT2AMAPTTP53NPC1HPGD
SCHEMBL10475151 0.78 HSD11B1 (0.42) KMT2AHSD11B1MAPTTP53NPC1
SCHEMBL10475153 0.75 MAPT (0.40) KMT2AHSD11B1MAPTTP53NPC1
SCHEMBL8763552 0.74 NPC1 (0.47) KMT2AMAPTTP53NPC1HPGD
SCHEMBL10473913 0.74 ELANE (0.43) KMT2AHSD11B1MAPTTP53NPC1
SCHEMBL10474081 0.73 KCNN4 (0.48) MAPTTP53NOTUMC1R
SCHEMBL10475127 0.72 NPBWR1 (0.44) MAPTTP53NPC1HPGDRAB9A
SCHEMBL10473978 0.72 MAPT (0.45) KMT2AHSD11B1MAPTTP53NPC1
SCHEMBL10474068 0.71 MAPT (0.51) KMT2AMAPTNOTUMMAT2AL3MBTL1

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
US-4943583-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1990-07-24 US disclosed
EP-0270061-A2 Five-membered heterocycles with three heteroatoms, their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1988-06-08 EP disclosed