SCHEMBL5310796

SCHEMBL5310796

Oc1cc(Cl)nc(SCc2ccccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.55
GAA P10253 6/20 0.53
MGAM O43451 3/20 0.53
SI P14410 3/20 0.53
MGAM2 Q2M2H8 3/20 0.53
HPGD P15428 4/20 0.47
TSHR P16473 1/20 0.47
CTSB P07858 1/20 0.46
TOP2A P11388 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL5314567 0.85 HPGD (0.60) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL14133162 0.83 GAA (0.66) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL5311182 0.83 L3MBTL1 (0.51) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL5310110 0.82 L3MBTL1 (0.51) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL5309782 0.82 HPGD (0.67) L3MBTL1KMT2AGAAMGAMSI
SCHEMBL5310114 0.81 HPGD (0.57) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL5310304 0.79 KMT2A (0.69) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL489580 0.78 CXCR2 (0.50) L3MBTL1MAPTKMT2AGAAMGAM
SCHEMBL21338153 0.76 HPGD (0.71) L3MBTL1KMT2AGAAMGAMSI
SCHEMBL490197 0.74 CXCR2 (0.49) MAPTKMT2AGAAMGAMSI

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