SCHEMBL7303381

SCHEMBL7303381

N[C@@H](CCSCc1ccccc1F)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SLC1A5 Q15758 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL11868080 0.85 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1SLC1A5
SCHEMBL7300113 0.85 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1SLC1A5
SCHEMBL31691522 0.83 SLC1A5 (0.53) SLC1A5
SCHEMBL22444963 0.83 SLC1A5 (0.53) SLC1A5
SCHEMBL16148359 0.83 SLC1A5 (0.53) SLC1A5
SCHEMBL16148360 0.83 SLC1A5 (0.53) SLC1A5
SCHEMBL11568937 0.82 CYP1A2 (0.55) SMN1; SMN2ALDH1A1SLC1A5MAPTHPGD
SCHEMBL7303334 0.81 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL341585 0.80 CYP2C19 (0.61) SMN1; SMN2ALDH1A1HPGD
SCHEMBL2829691 0.80 CYP2C19 (0.61) SMN1; SMN2ALDH1A1HPGD

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
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed