SCHEMBL7814367

SCHEMBL7814367

COc1cc(Cl)c2cc(C)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
RAD52 P43351 1/20 0.42
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ELANE P08246 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.38
DHODH Q02127 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL12215522 0.82 KMT2A (0.49) LMNAKDM4EALDH1A1MAPTRAD52
SCHEMBL16650948 0.81 L3MBTL1 (0.58) LMNAMAPTACHEBCHEGRIN1
SCHEMBL7699246 0.81 KDM4E (0.49) LMNAKDM4EALDH1A1MAPTRAD52
SCHEMBL899079 0.79 POLB (0.50) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL30344059 0.79 POLB (0.50) LMNAKDM4EALDH1A1MAPTMEN1
SCHEMBL30572382 0.78 LMNA (1.00) LMNAKDM4EALDH1A1MAPTACHE
SCHEMBL4768081 0.78 LMNA (1.00) LMNAKDM4EALDH1A1MAPTACHE
SCHEMBL829490 0.78 LMNA (0.72) LMNAKDM4EALDH1A1MAPTRAD52
SCHEMBL9724179 0.78 L3MBTL1 (0.39) LMNAKDM4EALDH1A1ACHEBCHE
Hydrochloric Acid SCHEMBL9494656 0.77 LMNA (0.96) LMNAKDM4EALDH1A1MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed