SCHEMBL9879082

SCHEMBL9879082

CCCc1nc(SC)[nH]c(=O)c1C

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.77
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL19503752 0.78 HTT (0.46) HTTUSP2POLBTSHRHPGD
SCHEMBL9878825 0.78 HTT (0.70) HTTLMNAHPGDGFERKDM4E
SCHEMBL8515731 0.76 KDM4E (0.60) HTTLMNATSHRHPGDKDM4E
SCHEMBL6025272 0.75 HTT (0.56) HTTLMNAHPGDGFERL3MBTL1
SCHEMBL9879120 0.74 HTT (0.63) HTTLMNATSHRHPGDGFER
SCHEMBL9879081 0.72 HTT (0.49) HTTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL31087177 0.71 ALDH1A1 (0.65) HTTLMNATSHRKDM4EL3MBTL1
SCHEMBL6025430 0.70 LMNA (0.62) HTTLMNAHPGDGFERL3MBTL1
SCHEMBL13932156 0.69 HTT (0.56) HTTLMNAPOLBHPGDGFER
SCHEMBL9879418 0.69 HTT (0.45) HTTTSHRKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed