SCHEMBL19332289

SCHEMBL19332289

[N-]=[N+]=N/C(=C\c1cccc(C(F)(F)F)c1Cl)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.38
▸ CTSK P43235 4/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAOB P27338 3/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ CLCN2 P51788 1/20 0.33
▸ P2RX7 Q99572 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ P4HB P07237 1/20 0.31
▸ ABCG2 Q9UNQ0 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
SCHEMBL19332285 1.00 CTSS (0.38) CTSSCTSKMEN1KMT2ANFKB1
SCHEMBL19332567 0.83 ERN1 (0.32) —
SCHEMBL19332569 0.83 ERN1 (0.32) —
SCHEMBL19331303 0.82 LMNA (0.40) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL19331299 0.82 LMNA (0.40) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL19331004 0.80 MEN1 (0.32) MEN1KMT2ARAB9A
SCHEMBL19332730 0.80 MEN1 (0.32) MEN1KMT2ARAB9A
SCHEMBL19331001 0.80 MEN1 (0.32) MEN1KMT2ARAB9A
SCHEMBL19332733 0.80 MEN1 (0.32) MEN1KMT2ARAB9A
SCHEMBL19332511 0.80 HSD11B1 (0.31) MRGPRX4

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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