SCHEMBL20014923

SCHEMBL20014923

CCOC(=O)c1c(C)csc1NC(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 6/20 0.46
GSTO1 P78417 1/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 3/20 0.45

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
SCHEMBL26474681 0.86 ALDH1A1 (0.53) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL11468077 0.86 TP53 (0.62) MAPK1ADRA2AADRA2BADRA2CMEN1
SCHEMBL13019308 0.85 SMN1; SMN2 (0.54) MAPK1ADRA2AADRA2BADRA2CMEN1
SCHEMBL2989345 0.84 LMNA (0.51) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL14882857 0.83 ADRA2A (0.52) MAPK1ADRA2AADRA2BADRA2CMEN1
SCHEMBL5233999 0.82 POLB (0.54) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL4158380 0.82 NPSR1 (0.52) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL2984306 0.82 ALDH1A1 (0.52) ADRA2AADRA2BADRA2CMEN1KMT2A
SCHEMBL2979292 0.81 MEN1 (0.54) MAPK1ADRA2AADRA2BADRA2CMEN1
SCHEMBL13041354 0.81 NPSR1 (0.51) ADRA2AADRA2BADRA2CMEN1KMT2A

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-2018054846-A1 N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed