SCHEMBL8626419

SCHEMBL8626419

CCCON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
GAA P10253 6/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37

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
SCHEMBL8683544 1.00 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL10542977 1.00 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL10542795 0.94 MAPT (0.43) MAPTGAALMNAKMT2AMEN1
SCHEMBL10542790 0.94 MAPT (0.43) MAPTGAALMNAKMT2AMEN1
SCHEMBL38664227 0.92 MAPT (0.41) MAPTGAALMNAKMT2AMEN1
SCHEMBL6051393 0.91 MAPT (0.46) MAPTGAALMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL10696662 0.91 MAPT (0.46) MAPTGAALMNAKMT2AMEN1
SCHEMBL6051390 0.91 MAPT (0.46) MAPTGAALMNAKMT2AMEN1
SCHEMBL8527292 0.91 MAPT (0.46) MAPTGAALMNAKMT2AMEN1
SCHEMBL9489720 0.91 GAA (0.42) MAPTGAALMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
EP-0121244-B1 CEPHALOSPORIN DERIVATIVES Bristol-Myers Company (US) 1990-09-12 EP disclosed
US-4816452-A ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1989-03-28 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
EP-0210815-A2 6-Beta-(alpha-etherified oxyimino)-acylamino penicillanic-acid derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1987-02-04 EP disclosed
US-4576938-A Cephalosporin compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1986-03-18 US disclosed
US-4525473-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1985-06-25 US disclosed
EP-0121244-A2 Cephalosporin derivatives Bristol-Myers Company (US) 1984-10-10 EP disclosed
US-4406899-A Cephalosporins BRISTOL-MYERS COMPANY (US) 1983-09-27 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
EP-0081971-A2 Novel cephalosporin compound and process for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed