SCHEMBL7691815

SCHEMBL7691815

CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA7 P43166 4/20 0.63
CA9 Q16790 4/20 0.63
ALDH1A1 P00352 8/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
EPHX2 P34913 1/20 0.55
DHFR P00374 1/20 0.53
APAF1 O14727 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10112998 0.88 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL7693786 0.85 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL10112982 0.83 ALDH1A1 (0.78) CA12CA1CA2CA7CA9
SCHEMBL10112945 0.83 CA1 (0.78) CA12CA1CA2CA7CA9
SCHEMBL10112983 0.81 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL10112897 0.80 ALDH1A1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL10113033 0.79 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10112989 0.79 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL7691439 0.78 CA12 (0.83) CA12CA1CA2CA7CA9
SCHEMBL7697206 0.78 CA12 (0.70) CA12CA1CA2CA7CA9

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-2002066443-A2 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-29 WO disclosed