SCHEMBL5310304

SCHEMBL5310304

Oc1ccnc(SCc2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
L3MBTL1 Q9Y468 4/20 0.60
HTR6 P50406 1/20 0.56
MAPT P10636 4/20 0.49
HPGD P15428 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PLA2G1B P04054 1/20 0.47
POLB P06746 1/20 0.47
ALOX12 P18054 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL16920963 0.82 MGAM (0.47) KMT2AMAPTHPGDNPC1RAB9A
SCHEMBL13058923 0.80 KMT2A (0.43) KMT2AL3MBTL1HTR6MAPTHPGD
SCHEMBL10939923 0.79 KMT2A (0.65) KMT2AL3MBTL1HTR6MAPTHPGD
SCHEMBL5310796 0.79 L3MBTL1 (0.56) KMT2AL3MBTL1MAPTHPGDNPC1
SCHEMBL16920959 0.78 HSD17B10 (0.65) KMT2AL3MBTL1MAPTHPGDNPC1
SCHEMBL13058925 0.77 NPSR1 (0.48) KMT2AL3MBTL1HTR6MAPTRAB9A
SCHEMBL5314567 0.77 HPGD (0.60) KMT2AL3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL862001 0.76 L3MBTL1 (0.40) KMT2AL3MBTL1HTR6MAPTHPGD
SCHEMBL5309815 0.75 KMT2A (0.55) KMT2AL3MBTL1HTR6MAPTHPGD
SCHEMBL13058922 0.75 MAPT (0.44) KMT2AMAPTHPGDRAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007048064-A2 AMINO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed