SCHEMBL8330299

SCHEMBL8330299

CSc1c(C(=O)OC2CCCCC2)c(=O)n(C)c(=S)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
MMP2 P08253 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
SCHEMBL8326728 0.78 MEN1 (0.69) MEN1KMT2AUSP2TSHRALDH1A1
SCHEMBL8326417 0.76 MEN1 (0.66) MEN1KMT2AUSP2TSHRTDP1
SCHEMBL3290383 0.68 MEN1 (0.37) MEN1KMT2ATSHRTDP1ALDH1A1
SCHEMBL11393943 0.65 MAPT (0.45) MEN1KMT2ATDP1MMP9MMP12
SCHEMBL11592049 0.62 MEN1 (0.63) MEN1KMT2ATSHRMMP9MMP12
SCHEMBL60478 0.62 MEN1 (0.63) MEN1KMT2ATSHRMMP9MMP12
SCHEMBL31139240 0.62 MEN1 (0.63) MEN1KMT2ATSHRMMP9MMP12
SCHEMBL14720174 0.62 MEN1 (0.63) MEN1KMT2ATSHRMMP9MMP12
Ammonia Solution, Strong SCHEMBL597060 0.61 MEN1 (0.61) MEN1KMT2ATSHRMMP9MMP12
SCHEMBL10707097 0.61 MEN1 (0.57) MEN1KMT2ATSHRTDP1MMP9

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