SCHEMBL8328453

SCHEMBL8328453

CSc1c(C(=O)OCc2ccccc2)c(=O)n(C)c(=S)n1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 4/20 0.67
TSHR P16473 2/20 0.44
USP2 O75604 2/20 0.44
RAB9A P51151 2/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL8328176 0.88 KMT2A (0.52) KMT2AMEN1TSHRUSP2RAB9A
SCHEMBL8329478 0.86 MEN1 (0.62) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL8326417 0.86 MEN1 (0.66) KMT2AMEN1TSHRUSP2L3MBTL1
SCHEMBL19928034 0.69 MAPT (0.57) KMT2ATSHRRAB9AL3MBTL1TDP1
SCHEMBL11796523 0.69 KMT2A (0.59) KMT2AMEN1RAB9AALDH1A1RECQL
SCHEMBL199583 0.69 KMT2A (0.55) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL17965761 0.67 TDP1 (0.61) KMT2ATSHRRAB9AL3MBTL1TDP1
SCHEMBL22327485 0.66 MAPT (0.51) KMT2ATSHRRAB9AL3MBTL1TDP1
SCHEMBL23373128 0.66 RAB9A (0.52) KMT2ATSHRRAB9ACASP3SENP8
SCHEMBL20154166 0.65 KMT2A (0.54) KMT2AUSP2RAB9AL3MBTL1TDP1

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