SCHEMBL21326166

SCHEMBL21326166

CC/C(Nc1ccccc1Cl)=C(/C(=O)O)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KCNQ2 O43526 1/20 0.46
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL21326162 1.00 LMNA (0.46) LMNAKCNQ2KMT2AHTTMEN1
SCHEMBL2229983 0.81 MAPT (0.45) LMNAKMT2AHTTMEN1MAPT
SCHEMBL2229985 0.81 MAPT (0.45) LMNAKMT2AHTTMEN1MAPT
SCHEMBL2302140 0.74 KCNQ2 (0.50) KCNQ2KMT2AHTTMEN1TAS1R3
SCHEMBL2302146 0.74 KCNQ2 (0.50) KCNQ2KMT2AHTTMEN1TAS1R3
SCHEMBL5186995 0.71 MEN1 (0.68) KCNQ2KMT2AHTTMEN1TAS1R3
SCHEMBL21598047 0.70 KMT2A (0.44) LMNAKMT2AHTTMAPTALDH1A1
SCHEMBL11522429 0.68 KMT2A (0.64) LMNAKCNQ2KMT2AMEN1TAS1R3
SCHEMBL7549566 0.67 CES2 (0.47) KMT2AHTTMAPTALDH1A1
SCHEMBL8645476 0.67 GPR35 (0.68) KMT2AHTTMEN1TAS1R3TAS1R1

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-3534709-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER AG (DE) 2021-06-16 EP disclosed
EP-3534709-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS Bayer Aktiengesellschaft (DE) 2019-09-11 EP disclosed