SCHEMBL9717767

SCHEMBL9717767

S=C1NC2(c3ccccc3)NC(=S)NC2(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
MAPT P10636 4/20 0.37
HTR2A P28223 2/20 0.37
CACNA1F O60840 1/20 0.37
CYP2C9 P11712 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
OPRM1 P35372 2/20 0.34
METAP1 P53582 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL3973309 0.74 CYP2C9 (0.52) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL7488088 0.69 CYP2C9 (0.42) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL11703346 0.66 NPY5R (0.39) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
Thiophenytoin SCHEMBL1685397 0.66 CYP2C9 (0.64) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL30457291 0.64 LMNA (0.53) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL25366882 0.63 MAPT (0.36) ALDH1A1MAPTHTR2AOPRM1MMP2
SCHEMBL11703341 0.62 ALDH1A1 (0.33) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL3975525 0.61 MMP2 (0.48) ALDH1A1MAPTHTR2ACACNA1FCYP2C9
SCHEMBL10876622 0.60 OPRM1 (0.41) ALDH1A1CYP2C9OPRM1OPRK1OPRL1
SCHEMBL5480380 0.60 OPRM1 (0.41) ALDH1A1CYP2C9OPRM1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213570-B1 GLYCOLURILE DERIVATIVES AND THEIR USE AS POLYMER STABILIZERS BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-4769457-A Glycoluril derivatives and their use as stabilizers for polymers BASF AKTIENGESELLSCHAFT (DE) 1988-09-06 US disclosed
EP-0213570-A2 Glycolurile derivatives and their use as polymer stabilizers BASF Aktiengesellschaft (DE) 1987-03-11 EP disclosed