SCHEMBL8768481

SCHEMBL8768481

Cc1cn(C=O)c(=O)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 4/20 0.32
BRD4 O60885 2/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
LMNA P02545 1/20 0.30
BRPF1 P55201 1/20 0.30

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
SCHEMBL29417880 0.78
SCHEMBL8696410 0.71 ATAD2 (0.38) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL11869254 0.70 BRPF1 (0.35) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL3806347 0.70 FEN1 (0.38) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL9972888 0.68 ALDH1A1 (0.40) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL24665501 0.67 ALDH1A1 (0.39) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL7964135 0.67 BRD4 (0.35) POLBALDH1A1BRD4LMNA
SCHEMBL15125556 0.67 DRD2 (0.43) CYP1A2POLBCYP2D6CYP2C9ALDH1A1
SCHEMBL22511462 0.66 ADORA2B (0.49) CYP1A2CYP2D6ALDH1A1HSD17B10KDM4E
SCHEMBL25980045 0.64 LMNA (0.46) POLBALDH1A1KDM4ESMN1; SMN2LMNA

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
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed