SCHEMBL3454096

SCHEMBL3454096

Cc1nc(-c2c(O)cc[nH]c2=O)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.41
TARBP2 Q15633 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 4/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL3454216 0.84 CDC7 (0.54) KDM4ERAB9AGAANPC1KMT2A
SCHEMBL3454854 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL3455546 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL3454995 0.81 SCD (0.58) NPC1HPGD
SCHEMBL3454983 0.78 SCD (0.48) NPC1HPGD
SCHEMBL3454195 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL3455386 0.77 SCD (0.56) SMN1; SMN2GAANPC1ALDH1A1HPGD
SCHEMBL3454598 0.77 SCD (0.56) MAPT
SCHEMBL3454331 0.76 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL3455448 0.75 SCD (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed