SCHEMBL7696183

SCHEMBL7696183

CCOc1ccccc1C1NC(=S)NC(C)=C1C(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
GAA P10253 2/20 0.71
ALDH1A1 P00352 6/20 0.67
ABCB1 P08183 2/20 0.60
LMNA P02545 1/20 0.60
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
DHFR P00374 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
TP53 P04637 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7695807 0.94 GAA (0.63) MAPTGAAALDH1A1ABCB1LMNA
SCHEMBL7697692 0.91 ALDH1A1 (0.70) MAPTGAAALDH1A1ABCB1LMNA
SCHEMBL7695378 0.87 ALDH1A1 (0.67) MAPTGAAALDH1A1ABCB1LMNA
SCHEMBL26598049 0.84 DHFR (0.66) MAPTGAAALDH1A1ABCB1LMNA
SCHEMBL13167285 0.81 GAA (0.75) MAPTGAAALDH1A1ABCB1LMNA
SCHEMBL10113073 0.80 CA1 (0.74) ALDH1A1LMNACYP2C9CYP2C19DHFR
SCHEMBL7694783 0.79 ALDH1A1 (0.72) MAPTGAAALDH1A1CYP2C9CYP2C19
SCHEMBL7696383 0.77 DHFR (0.74) ALDH1A1LMNACYP2C9CYP2C19DHFR
SCHEMBL10112932 0.77 ALDH1A1 (0.65) MAPTGAAALDH1A1LMNACYP2C9
SCHEMBL7692642 0.75 ALDH1A1 (0.78) MAPTGAAALDH1A1CYP2C9CYP2C19

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