SCHEMBL6231313

SCHEMBL6231313

Cc1cccc(CC(=O)c2ccnc(-c3ccc(Cl)cc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAP4K4 O95819 2/20 0.43
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTRC Q99895 1/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
WNK1 Q9H4A3 1/20 0.40
KMO O15229 2/20 0.40
MAPT P10636 1/20 0.39
GRM5 P41594 2/20 0.39
SHMT1 P34896 1/20 0.39
SHMT2 P34897 1/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL5907457 0.86 KDM1A (0.38) KDM4CKDM5AKDM5BGRM5
SCHEMBL5956698 0.84 EGFR (0.40)
SCHEMBL5956396 0.84 CYP1A2 (0.39) KMT2AKDM5B
SCHEMBL5956373 0.83 WNK1 (0.45) MEN1KMT2ANPSR1WNK1
SCHEMBL5956595 0.83 ACACA (0.43) MEN1KMT2AMAPT
SCHEMBL5956574 0.83 SCN10A (0.54) KDM4EKDM4CKDM5AKDM5BMAPT
SCHEMBL5907452 0.81 HDAC1 (0.50)
SCHEMBL5907501 0.81 HDAC1 (0.47) RAB9ANPC1WNK1
SCHEMBL5956425 0.80 HPGD (0.52) RAB9AMEN1KMT2A
SCHEMBL5907471 0.80 ABL1 (0.51) KDM4EKMT2AWNK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO disclosed