SCHEMBL9331561

SCHEMBL9331561

CC(=O)NC([C]=O)c1csc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NOS1 P29475 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
ABL1 P00519 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL10637375 0.88 PIK3CG (0.35) PIK3CGALDH1A1KMT2AHSD17B10MEN1
SCHEMBL9331540 0.86 HSD17B10 (0.36) PIK3CGALDH1A1KMT2AHSD17B10MEN1
SCHEMBL10545047 0.85 HSD17B10 (0.33) PIK3CGALDH1A1KMT2AHSD17B10MEN1
SCHEMBL10546326 0.84 TMIGD3 (0.35) PIK3CGALDH1A1KMT2AHSD17B10MEN1
SCHEMBL10640050 0.84 GABRA5 (0.34) PIK3CGALDH1A1KMT2AHSD17B10MEN1
SCHEMBL10544234 0.82 GABRA5 (0.33) ALDH1A1KMT2AHSD17B10MEN1MAPT
SCHEMBL10545779 0.81 TSHR (0.36) ALDH1A1KMT2AHSD17B10MEN1MAPT
SCHEMBL9332057 0.79 SMN1; SMN2 (0.35) ALDH1A1KMT2AHSD17B10MEN1MAPT
SCHEMBL10543237 0.79 TSHR (0.35) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8982646 0.78 KDM4E (0.34) KMT2AHSD17B10MAPTKDM4ESMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
EP-0093376-B1 1-SULFO-2-AZETIDINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-21 EP disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US 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-4794108-A BACTERICIDES, MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-12-27 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 US disclosed
US-4533495-A Method of producing 2-azetidinone-1-sulfonic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-08-06 US disclosed
EP-0053815-B1 2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-05-08 EP disclosed
EP-0135194-A1 Azetidinones and their production Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP disclosed
EP-0095764-A2 2-Oxoazetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-12-07 EP disclosed
EP-0093376-A2 1-Sulfo-2-azetidinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0053815-A1 2-Oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
EP-0053816-A1 1-Sulfo-2-oxoazetidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-06-16 EP disclosed
EP-0050965-A1 Beta-lactamase inhibitory composition Takeda Chemical Industries, Ltd. (JP) 1982-05-05 EP disclosed