SCHEMBL22034799

SCHEMBL22034799

C[C@]1(C(=O)O)CCC[C@@H]1C[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
ARG1 P05089 3/20 0.32
ARG2 P78540 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C9 P11712 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
SCHEMBL13580169 0.77 ARG1 (0.36) MMP2ARG1ARG2MAPK1TP53
SCHEMBL13580180 0.77 ARG1 (0.36) MMP2ARG1ARG2MAPK1TP53
SCHEMBL5191234 0.75 GRM2 (0.41) MMP2ARG1ARG2CYP2C19CYP2C9
SCHEMBL2148621 0.72 UGT2B7 (0.39) MMP2ARG1ARG2LMNABLM
SCHEMBL22035065 0.71
SCHEMBL9761912 0.70 GRM2 (0.40) MMP2ARG1ARG2CYP2C19LMNA
SCHEMBL8892512 0.69
SCHEMBL2010814 0.69 GSR (0.39) NPSR1F10HSD11B1PTPN1
SCHEMBL2277283 0.66 FFAR3 (0.39) MMP2MAPK1TP53NFKB1CYP2C19
SCHEMBL7427322 0.66 F10 (0.43) MMP2MAPK1TP53NFKB1CYP2C19

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
EP-3891157-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed