SCHEMBL9487121

SCHEMBL9487121

CSc1nc2cc(O)c(O)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KEAP1 Q14145 1/20 0.54
PKM P14618 1/20 0.51
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL9487116 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1KEAP1PKMALDH1A1
SCHEMBL2675923 0.78 KEAP1 (0.65) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL30602939 0.78 NPSR1 (0.65) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL2337609 0.78 NPSR1 (0.65) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL3659927 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL1608822 0.74 SMN1; SMN2 (0.68) SMN1; SMN2PKMNPC1RAB9AKDM4E
SCHEMBL9480543 0.73 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL9290493 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1KEAP1PKMALDH1A1
SCHEMBL7867881 0.72 KEAP1 (0.67) SMN1; SMN2NPSR1KEAP1PKMNPC1
SCHEMBL30602949 0.72 KEAP1 (0.67) SMN1; SMN2NPSR1KEAP1PKMNPC1

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