SCHEMBL9414580

SCHEMBL9414580

Nc1ccnc(C[C]=O)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SCN9A Q15858 2/20 0.32
HSP90AA1 P07900 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 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
SCHEMBL18989817 0.74
SCHEMBL11349002 0.72
SCHEMBL31678649 0.72
SCHEMBL465755 0.72
SCHEMBL1649702 0.72
SCHEMBL348778 0.71
SCHEMBL7084096 0.71 HTT (0.44) MKNK1MKNK2GABRPGABRDGABRA1
SCHEMBL8348332 0.71 HRH1 (0.42) MAPT
SCHEMBL11119468 0.71 GABRA5 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10648973 0.70 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611770-A2 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1994-08-24 EP disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-5084568-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1992-01-28 US disclosed
US-5013854-A Process for preparing acid halides ELI LILLY AND COMPANY (US) 1991-05-07 US disclosed
EP-0381451-A1 A process for preparing acid halides ELI LILLY AND COMPANY (US) 1990-08-08 EP disclosed
US-4937331-A Chemical intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-06-26 US disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4885291-A 1-carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-12-05 US disclosed
EP-0334593-A1 Chiral azetidinone epoxides THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-27 EP disclosed
EP-0324562-A1 1-Carba(dethia)-3-cephem derivatives ELI LILLY AND COMPANY (US) 1989-07-19 EP disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed