SCHEMBL13067239

SCHEMBL13067239

Cc1cc(C)nc(SCc2cc3ccccc3nc2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL845091 0.91 KMT2A (0.49) KMT2ATSHRHPGDMEN1MAPT
SCHEMBL21338153 0.78 HPGD (0.71) KMT2ATSHRHPGDMEN1HTT
SCHEMBL13066752 0.77 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL8735682 0.74 KMT2A (0.70) KMT2ATSHRHPGDMEN1MAPT
SCHEMBL30162631 0.72 KMT2A (1.00) KMT2AHPGDMEN1MAPTKDM4E
SCHEMBL377259 0.72 KMT2A (1.00) KMT2AHPGDMEN1MAPTKDM4E
SCHEMBL5309782 0.72 HPGD (0.67) KMT2ATSHRHPGDMEN1HTT
SCHEMBL13067261 0.71 KMT2A (0.70) KMT2AHPGDMEN1MAPTKDM4E
SCHEMBL681071 0.71 KMT2A (0.70) KMT2AHPGDMEN1MAPTKDM4E
SCHEMBL120913 0.71 KMT2A (0.70) KMT2AHPGDMEN1MAPTKDM4E

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 WO disclosed