SCHEMBL8314141

SCHEMBL8314141

[CH2]NC(=O)Cc1csc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.64
GABRB2 P47870 1/20 0.64
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.42
ADRB3 P13945 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOS1 P29475 1/20 0.40
TP53 P04637 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL10978725 0.87 GABRA5 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL9670620 0.84 GABRA5 (0.66) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL1342023 0.83 GABRA5 (0.64) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL10490781 0.80 GABRA5 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL5875667 0.80 HSD17B10 (0.60) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL222254 0.79 HSD17B10 (0.64) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL1797901 0.78 GABRA5 (0.72) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL909845 0.78 HSD17B10 (1.00) GABRA5GABRB2HSD17B10SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6216313 0.78 HSD17B10 (0.62) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1
SCHEMBL5244530 0.78 HSD17B10 (0.57) GABRA5GABRB2HSD17B10SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093376-B2 1-Sulfo-2-azetidinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-04-07 EP disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0053816-B1 1-SULFO-2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1988-05-04 EP disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed