SCHEMBL6930554

SCHEMBL6930554

[CH2]Sc1nnnn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.62
LMNA P02545 5/20 0.60
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 3/20 0.57
POLB P06746 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.55
GAA P10253 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50

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
SCHEMBL11202055 0.84 ALDH1A1 (0.73) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL2395370 0.84 ALDH1A1 (0.66) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL3485204 0.81 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL6930563 0.81 ALDH1A1 (0.67) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL3485202 0.81 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL8094638 0.81 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL10970208 0.80 ALDH1A1 (0.71) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL17097394 0.79 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL10912553 0.78 ALDH1A1 (0.63) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL13539392 0.78 ALDH1A1 (0.63) ALDH1A1LMNATSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO claimed
US-4547573-A BACTERICIDES ICI PHARMA (FR) 1985-10-15 US claimed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US claimed
US-4497949-A PHOTOTHERMOGRAPHY;COLOR FILMS;STORAGE STABILITY;ANTIFOGGING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-05 US claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US claimed
EP-0113965-A2 Process for the preparation of cephalosporin derivatives ICI PHARMA (FR) 1984-07-25 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
WO-2004101572-A1 7-GLUTARYL IMIDE CEPHALOSPORANIC ACID DERIVATIVES AND PROCESS FOR PREPARING IT CKD BIO CORPORATION (KR) 2004-11-25 WO disclosed
US-4701556-A 7-(IMIDAZOL-2-YL-AMINO) CEPHEMS AND OXACEPHEMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-20 US disclosed
US-4547573-A BACTERICIDES ICI PHARMA (FR) 1985-10-15 US disclosed
US-4504478-A Cephalosporin-1-oxide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1985-03-12 US disclosed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP disclosed
EP-0069445-A1 Process for making benzimidazoles UNIROYAL, INC. (US) 1983-01-12 EP disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed