SCHEMBL8768252

SCHEMBL8768252

CSc1nc(CC(=O)O)nc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.40
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRR2 P28476 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
MAP3K5 Q99683 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
NOTUM Q6P988 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL8592141 0.78 CYP1A2 (0.44) GABRR1HSD17B10CYP2C19EGLN1CYP1A2
SCHEMBL129934 0.73 MAP3K5 (0.37) HSD17B10MAP3K5TP53
SCHEMBL763254 0.73 MAP3K5 (0.39) HSD17B10CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL10410694 0.72 MAP3K5 (0.38) HSD17B10MAP3K5TP53
SCHEMBL130532 0.70 MAP3K5 (0.37) HSD17B10MAP3K5TP53
SCHEMBL130807 0.70 MAP3K5 (0.37) HSD17B10MAP3K5KDM4ETP53
SCHEMBL130799 0.70 MAP3K5 (0.56) HSD17B10CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL27533889 0.68 GABRR1 (0.41) GABRR1HSD17B10CYP2C19EGLN1CYP1A2
SCHEMBL17165345 0.66 HTT (0.41) HSD17B10CYP2C19CYP1A2
SCHEMBL9081763 0.66 KDM4E (0.39) GABRR1HSD17B10ALDH1A1KDM4EMAPT

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