SCHEMBL8329478

SCHEMBL8329478

COC(=O)c1c(SC)n(-c2ccccc2)c(=S)n(C)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.39

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
SCHEMBL8330515 0.85 KMT2A (0.46) MEN1KMT2AUSP2TSHRGAA
SCHEMBL8326728 0.85 MEN1 (0.69) MEN1KMT2AUSP2TSHRGAA
SCHEMBL8326417 0.83 MEN1 (0.66) MEN1KMT2AUSP2TSHRGAA
SCHEMBL8330299 0.82 MEN1 (0.53) MEN1KMT2AUSP2TSHRALDH1A1
SCHEMBL8328176 0.74 KMT2A (0.52) MEN1KMT2AUSP2TSHRGAA
SCHEMBL19135965 0.68 MAPT (0.50) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL198229 0.68 MEN1 (0.50) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL11791554 0.66 HPGD (0.59) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL30878848 0.65 GAA (0.44) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL198493 0.63 ALDH1A1 (0.58) MEN1KMT2ATSHRGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed