SCHEMBL9487116

SCHEMBL9487116

[CH2]Sc1nc2cc(O)c(O)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KEAP1 Q14145 1/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
GCGR P47871 1/20 0.35
PDK1 Q15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
PPARA Q07869 5/20 0.34

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
SCHEMBL9487121 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1KEAP1ALDH1A1CYP1A2
SCHEMBL1608822 0.69 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18201946 0.69 GAA (0.60) SMN1; SMN2ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL2819815 0.68 ALDH1A1 (0.70) SMN1; SMN2PDK1ALDH1A1CYP1A2CYP2C9
SCHEMBL9979780 0.60 MAPT (0.46) NPSR1ALDH1A1HPGDCYP2C19
SCHEMBL2675923 0.59 KEAP1 (0.65) SMN1; SMN2NPSR1KEAP1ALDH1A1PKM
SCHEMBL30602939 0.59 NPSR1 (0.65) SMN1; SMN2NPSR1KEAP1ALDH1A1CYP1A2
SCHEMBL2337609 0.59 NPSR1 (0.65) SMN1; SMN2NPSR1KEAP1ALDH1A1CYP1A2
SCHEMBL2317473 0.59 HTT (0.61) SMN1; SMN2KEAP1CYP1A2CYP2C9CYP2C19
SCHEMBL18618444 0.59 GAA (0.70) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10

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-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed