SCHEMBL7689428

SCHEMBL7689428

CC1=C(C(=O)OCc2ccccc2)C(c2cccs2)NC(=S)N1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.78
ALDH1A1 P00352 12/20 0.78
KMT2A Q03164 2/20 0.78
ALOX12 P18054 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
MAPT P10636 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
GUSB P08236 1/20 0.60
PKM P14618 1/20 0.59
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.57
HSP90AA1 P07900 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
DHFR P00374 1/20 0.57
ABCB1 P08183 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL592499 0.88 ADORA2B (1.00) ADORA2BALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL7696808 0.88 ALDH1A1 (1.00) ADORA2BALDH1A1KMT2AALOX12TDP1
SCHEMBL14164070 0.84 DHFR (0.79) ADORA2BALDH1A1ALOX12TDP1MAPT
SCHEMBL7695444 0.83 ALDH1A1 (1.00) ADORA2BALDH1A1KMT2AALOX12TDP1
SCHEMBL7696472 0.82 ALDH1A1 (0.54) ADORA2BALDH1A1KMT2AALOX12TDP1
SCHEMBL16792165 0.81 ALDH1A1 (0.78) ADORA2BALDH1A1KMT2AALOX12TDP1
SCHEMBL31541594 0.79 DHFR (0.67) ADORA2BALDH1A1KMT2AALOX12TDP1
SCHEMBL17413885 0.79 TSHR (0.79) ADORA2BALDH1A1ALOX12TDP1MAPT
SCHEMBL14164069 0.78 DHFR (0.66) ADORA2BALDH1A1ALOX12TDP1MAPT
SCHEMBL7695774 0.78 CA1 (0.70) ALDH1A1KMT2AALOX12TDP1MAPT

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