SCHEMBL7694652

SCHEMBL7694652

COC(=O)C1=C(C)NC(=S)NC1c1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.63
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.56
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 6/20 0.53
ADORA2B P29275 1/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EGFR P00533 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7696383 0.90 DHFR (0.74) DHFRKMT2AMEN1TP53CA1
SCHEMBL7701429 0.83 TP53 (0.80) DHFRKMT2AMEN1TP53CA1
SCHEMBL7692901 0.83 ALDH1A1 (0.66) DHFRKMT2ACA1CA2HTT
SCHEMBL10144688 0.82 EGFR (0.60) DHFRKMT2ACA1CA2HTT
SCHEMBL10961715 0.82 KDM4E (0.62) KMT2AMEN1TP53KDM4EHTT
SCHEMBL10113461 0.81 DHFR (0.64) DHFRKMT2AMEN1CA1CA2
SCHEMBL13420163 0.80 CA1 (0.77) DHFRKMT2AMEN1CA1CA2
SCHEMBL11007706 0.79 KDM4E (0.59) KMT2AMEN1TP53KDM4EHTT
SCHEMBL11008722 0.79 KDM4E (0.57) KMT2AMEN1TP53KDM4EHTT
SCHEMBL5340104 0.78 KMT2A (0.86) KMT2AMEN1TP53KDM4EHTT

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