SCHEMBL20761815

SCHEMBL20761815

CN(C)CCCC[S+](N)[O-]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
DNM1 Q05193 3/20 0.40
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HRH4 Q9H3N8 2/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL20762018 0.92
SCHEMBL20196176 0.81
SCHEMBL21216 0.71 ALDH1A1 (0.91) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL35856 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1
Hydrochloric Acid SCHEMBL10934116 0.67 ALDH1A1 (0.83) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL8083762 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL7942101 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL1729138 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL8083779 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1
SCHEMBL235238 0.67 ALDH1A1 (1.00) ALDH1A1TSHRDNM1HSD17B10TDP1

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
WO-2019034696-A1 NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS INFLAZOME LIMITED (IE) 2019-02-21 WO disclosed