SCHEMBL10333271

SCHEMBL10333271

CN(C)c1ccc(N(C)C)c(SS)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
TSHR P16473 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CRHR1 P34998 2/20 0.39
TERT O14746 1/20 0.38
APP P05067 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 3/20 0.31
EGFR P00533 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
NSD2 O96028 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10333272 0.83 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL190887 0.78 ALDH1A1 (0.41) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL21173494 0.72 ALDH1A1 (0.53) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL10333921 0.71 MAPT (0.40) ALDH1A1TSHRKDM4ETDP1MAPK1
SCHEMBL5640689 0.69 CRHR1 (0.51) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL10631846 0.67 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL8644984 0.67 CRHR1 (0.46) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL3789309 0.67 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL5640688 0.67 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10CRHR1
SCHEMBL3186890 0.66 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
US-4851419-A Certain 2-pyridinyl-phenylsulfinyl-benzoxazoles, the corresponding benzothiazoles or benzimidazoles having anti-inflammatory or gastric acid secretion inhibition activity FISONS PLC (GB) 1989-07-25 US disclosed
EP-0220053-A2 Benzimidazoles, benzoxazoles, benzothiazoles and their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1987-04-29 EP disclosed