SCHEMBL10612470

SCHEMBL10612470

CCOC(=O)c1c(NC(=O)NC)sc(C)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
ALDH1A1 P00352 13/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 5/20 0.67
MEN1 O00255 4/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HPGD P15428 7/20 0.66
KDM4E B2RXH2 6/20 0.66
TP53 P04637 3/20 0.63
GAA P10253 2/20 0.60
LMNA P02545 2/20 0.57
CASP1 P29466 1/20 0.57
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL10719990 0.85 MAPT (0.66) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL11356974 0.84 ALDH1A1 (0.75) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10406531 0.84 KMT2A (0.75) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10612914 0.84 MAPK1 (0.66) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL18542006 0.83 MAPK1 (1.00) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10729956 0.82 MAPK1 (0.63) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10715042 0.82 MAPK1 (0.63) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1622930 0.81 MAPK1 (0.78) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL3767865 0.78 MAPK1 (0.66) MAPK1ALDH1A1KMT2AMAPTMEN1
SCHEMBL11405426 0.78 RAB9A (0.48) MAPK1ALDH1A1KMT2AMAPTMEN1

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
US-4740520-A Use of thienylurea derivatives as selective fungicides BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4737515-A Use of tetrahydrobenzothienylurea derivatives as fungicides BAYER AKTIENGESELLSCHAFT (DE) 1988-04-12 US disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed