SCHEMBL2490824

SCHEMBL2490824

CSc1ncc(CS(C)(=O)=O)c(O)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NTRK1 P04629 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
DHFR P00374 1/20 0.31
AHR P35869 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17156365 0.81 MEN1 (0.42) MEN1KMT2ANTRK1ALDH1A1POLB
SCHEMBL31483966 0.76 MEN1 (0.41) MEN1KMT2ANTRK1HTTALDH1A1
SCHEMBL9409997 0.75 MEN1 (0.45) MEN1KMT2ANTRK1ALDH1A1POLB
SCHEMBL17156348 0.75 DHFR (0.38) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL27430987 0.72 TYR (0.35) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL9298613 0.70 MEN1 (0.44) MEN1KMT2AALDH1A1POLBTDP1
SCHEMBL10997608 0.70 MEN1 (0.41) MEN1KMT2ANTRK1ALDH1A1AHR
SCHEMBL3170487 0.69 MEN1 (0.43) MEN1KMT2ANTRK1ALDH1A1POLB
SCHEMBL13573529 0.68 KDM4E (0.33) MEN1KMT2AHTTKDM4E
SCHEMBL3966185 0.67 MEN1 (0.42) MEN1KMT2ANTRK1HTTALDH1A1

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-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 WO disclosed