SCHEMBL6966527

SCHEMBL6966527

O=C(NNC=S)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL6964298 0.81 MAPT (0.61) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL400890 0.79 RAB9A (0.77) KDM4ENPC1RAB9ACTDSP1PTGS2
SCHEMBL28003152 0.79 MAPT (0.59) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL3247733 0.78 NPC1 (0.57) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL12324391 0.77 RAB9A (0.82) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL28004151 0.76 NPC1 (0.70) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL16438824 0.75 HDAC3 (0.68) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL11298577 0.74 RAB9A (0.75) KDM4ENPC1RAB9ACTDSP1ALDH1A1
SCHEMBL6967578 0.74 RAB9A (0.63) KDM4ENPC1RAB9ACTDSP1PTGS2
SCHEMBL28875360 0.73 SMN1; SMN2 (0.71) KDM4ENPC1RAB9ACTDSP1PTGS2

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed