SCHEMBL20749099

SCHEMBL20749099

CC(CO)Cc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
FDPS P14324 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ELANE P08246 1/20 0.36
ESR1 P03372 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL23734289 0.85 TRPA1 (0.44) TRPA1FDPSGABRA1GABRB2CYP3A4
SCHEMBL14895419 0.83 GABRA1 (0.50) TRPA1GABRA1GABRB2ESR1KCNH2
SCHEMBL3803877 0.82 TLR8 (0.37) TRPA1FDPSGABRA1GABRB2CYP3A4
SCHEMBL10693501 0.82 FDPS (0.38) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL16197829 0.79 FDPS (0.39) FDPSGABRA1GABRB2ESR1KCNH2
SCHEMBL4931748 0.79 FDPS (0.39) FDPSGABRA1GABRB2ESR1KCNH2
SCHEMBL3391358 0.79 FDPS (0.39) TRPA1FDPSCYP3A4ALOX15CASP1
SCHEMBL270111 0.79 GABRA1 (0.52) FDPSGABRA1GABRB2CYP3A4ALOX15
SCHEMBL3068875 0.79 FDPS (0.41) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL765679 0.78 HSPA5 (0.48) TRPA1GABRA1GABRB2KCNH2CYP3A4

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-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed