SCHEMBL19332730

SCHEMBL19332730

Cc1cccc(/C=C(/N=[N+]=[N-])C(=O)O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19331004 1.00 MEN1 (0.32) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL19332733 1.00 MEN1 (0.32) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL19332734 1.00 MEN1 (0.32) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL19331001 1.00 MEN1 (0.32) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL19331303 0.86 LMNA (0.40) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL19331299 0.86 LMNA (0.40) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL19341958 0.85 LMNA (0.33) MEN1KMT2ALMNAKDM4EHTT
SCHEMBL19332421 0.83 LMNA (0.34) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL19332511 0.83 HSD11B1 (0.31) —
SCHEMBL19332567 0.83 ERN1 (0.32) ALDH1A1

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-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
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