SCHEMBL8901990

SCHEMBL8901990

Cc1cn(CCN2C(=O)CSC2COC(=O)c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.52
RNASE1 P07998 1/20 0.43
HPGD P15428 1/20 0.41
TK2 O00142 8/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL8908320 0.82 TYMP (0.43) TK1HPGDTK2MAPK1
SCHEMBL8908130 0.78 CHRNB2 (0.43) MEN1KMT2AMAPK1CHRNB2CHRNA5
SCHEMBL10569472 0.75 TK1 (0.59) TK1RNASE1HPGDTK2MAPK1
SCHEMBL8909572 0.75 CHRNB2 (0.36) MEN1KMT2ACHRNB2CHRNA5CHRNA7
SCHEMBL8900287 0.75 EP300 (0.38) MEN1KMT2ACHRNB2CHRNA5CHRNA7
SCHEMBL10571570 0.72 TK1 (0.58) TK1RNASE1HPGDTK2MEN1
SCHEMBL10571564 0.72 TK1 (0.58) TK1RNASE1HPGDTK2MEN1
SCHEMBL8907404 0.72 EGFR (0.49) HPGD
SCHEMBL8707821 0.70 TK1 (0.64) TK1RNASE1HPGDTK2MAPK1
SCHEMBL14580373 0.70 RNASE1 (0.57) TK1RNASE1TK2

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-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO claimed
WO-1997034891-A1 SUBSTITUTED 1,3-THIAZOLIDINES AND 1,3-THIAZOLIDIN-4-ONES, METHOD FOR PREPARING SAME, AND USE THEREOF AS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-09-25 WO disclosed