SCHEMBL30412972

SCHEMBL30412972

NC(CC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ACP3 P15309 3/20 0.50
CES2 O00748 2/20 0.50
EPHX1 P07099 2/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNA1C Q13936 1/20 0.47
SLC6A9 P48067 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL31295268 1.00 PNMT (0.54) PNMTKMT2ASMN1; SMN2ACP3CES2
SCHEMBL382119 1.00 PNMT (0.54) PNMTKMT2ASMN1; SMN2ACP3CES2
Hydrochloric Acid SCHEMBL21817757 0.98 PNMT (0.53) PNMTKMT2ASMN1; SMN2ACP3CES2
Hydrochloric Acid SCHEMBL21817760 0.98 PNMT (0.53) PNMTKMT2ASMN1; SMN2ACP3CES2
SCHEMBL20546159 0.91 SLC1A3 (0.53) PNMTKMT2ASMN1; SMN2ACP3EPHX1
SCHEMBL20546158 0.91 SLC1A3 (0.53) PNMTKMT2ASMN1; SMN2ACP3EPHX1
SCHEMBL20546815 0.89 EPHX1 (0.51) PNMTKMT2ASMN1; SMN2ACP3EPHX1
SCHEMBL20546819 0.89 EPHX1 (0.51) PNMTKMT2ASMN1; SMN2ACP3EPHX1
SCHEMBL7090175 0.88 KMT2A (0.56) PNMTKMT2ASMN1; SMN2EPHX1SLC6A9
SCHEMBL7090184 0.88 KMT2A (0.56) PNMTKMT2ASMN1; SMN2EPHX1SLC6A9

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
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 CN disclosed
CN-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 CN disclosed