SCHEMBL2470951

SCHEMBL2470951

NC=CCc1cnc(C(=O)O)s1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL9371623 0.74 EPHX2 (0.43) ALDH1A1GAASMN1; SMN2
SCHEMBL7374226 0.72 HCAR2 (0.35) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL127895 0.72 HCAR2 (0.35) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL11393869 0.69 FDPS (0.46) KDM4EALDH1A1SMN1; SMN2HCAR2
SCHEMBL12631200 0.68 ALDH1A1 (0.41) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL19224495 0.67 LMNA (0.56) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL741431 0.67 ALDH1A1 (0.40) KDM4EALDH1A1GAASMN1; SMN2HCAR2
SCHEMBL21199834 0.66 CCNE1 (0.52) KDM4EALDH1A1SMN1; SMN2HCAR2
SCHEMBL27556089 0.65
SCHEMBL24533146 0.64 SMN1; SMN2 (0.55) ALDH1A1GAASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed