SCHEMBL5208537

SCHEMBL5208537

COc1ccc2cc(C(=O)O)c(NCc3ccc(Cl)cc3)nc2c1.COc1ccc2cc(C(N)=O)c(Nc3cccc(Cl)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 2/20 0.48
CDK1 P06493 2/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
ABL1 P00519 1/20 0.44
SYK P43405 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL5203048 0.87 MEN1 (0.54) LMNAMEN1KMT2AHPGDGFER
SCHEMBL4490500 0.86 CTNNB1 (0.51) LMNAMEN1KMT2AAKR1C3AKR1C2
SCHEMBL5207437 0.86 MEN1 (0.64) LMNAMEN1KMT2AHPGDGFER
SCHEMBL4501469 0.83 APEX1 (0.49) LMNAMEN1KMT2AHPGDGFER
Methanesulfonamide SCHEMBL4500516 0.82 MEN1 (0.49) LMNAMEN1KMT2AHPGDGFER
Benzenesulfonamide SCHEMBL4496281 0.80 MEN1 (0.48) LMNAMEN1KMT2AHPGDGFER
SCHEMBL4482149 0.80 KDM4E (0.47) MEN1KMT2AEGFRAKR1C3AKR1C2
SCHEMBL4487073 0.80 KDM4E (0.53) MEN1KMT2AHPGDEGFRAKR1C3
SCHEMBL4489260 0.79 HPGDS (0.55) LMNAHPGDSMN1; SMN2EGFRNPC1
SCHEMBL5202789 0.79 AKR1C3 (0.60) LMNAMEN1KMT2AHPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP claimed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP claimed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed