SCHEMBL17320200

SCHEMBL17320200

CCCc1nn(-c2ccccc2)c(OC)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MPO P05164 3/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL16342991 0.85 LMNA (0.44) LMNAMPOHTTMAPTALDH1A1
Sulfuric Acid SCHEMBL4241603 0.81 LMNA (0.41) LMNAMPOHTTMAPTALDH1A1
SCHEMBL29954230 0.81 LMNA (0.41) LMNAHTTMAPTALDH1A1MAPK1
SCHEMBL29956741 0.81 SMN1; SMN2 (0.45) LMNAHTTMAPTALDH1A1MAPK1
SCHEMBL11487535 0.79 LMNA (0.74) LMNAMPOHTTMAPTALDH1A1
SCHEMBL15331189 0.72 ALDH1A1 (0.40) LMNAHTTMAPTALDH1A1L3MBTL1
SCHEMBL29953204 0.71 ALDH1A1 (0.47) LMNAHTTALDH1A1MAPK1L3MBTL1
SCHEMBL29953708 0.71 SMN1; SMN2 (0.47) LMNAHTTMAPTALDH1A1MAPK1
SCHEMBL5928922 0.70 LMNA (0.70) LMNAHTTMAPTALDH1A1MAPK1
SCHEMBL14452375 0.70 CNR1 (0.45) MPOMAPTALDH1A1MAPK1L3MBTL1

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-2795322-B1 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING BV (NL) 2015-12-09 EP disclosed