SCHEMBL9735339

SCHEMBL9735339

COc1cc(OC)nc(Oc2ccccc2C=NNc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LRRK2 Q5S007 1/20 0.47
MAPK1 P28482 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
KLF5 Q13887 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL9694470 0.86 GAA (0.50) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9694473 0.86 GAA (0.50) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9732967 0.82 MAPT (0.53) MAPTSMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL12417113 0.82 MAPT (0.53) MAPTSMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL9732218 0.82 GAA (0.45) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9732965 0.82 MAPT (0.53) MAPTSMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL9732591 0.80 KDM4E (0.66) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9733071 0.77 ALDH1A1 (0.49) SMN1; SMN2LMNAGAAKDM4EL3MBTL1
SCHEMBL9733068 0.77 ALDH1A1 (0.49) SMN1; SMN2LMNAGAAKDM4EL3MBTL1
SCHEMBL9732486 0.75 SLC2A1 (0.50) MAPTRAB9ANPC1SMN1; SMN2MEN1

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-1992013846-A1 PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-08-20 WO claimed
WO-1992013846-A1 PYRIMIDINYL- AND TRIAZINYLSALICYL- AND -PICOLINYLALDEHYDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-08-20 WO disclosed