SCHEMBL6666496

SCHEMBL6666496

CC(C)(CCc1cc(CN2CCOCC2)cc2c(=O)c(C(=O)NCCc3ccc(Cl)cc3)n[nH]c12)N1CNC(=S)NC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.37
CDK2 P24941 1/20 0.37
KCNH2 Q12809 6/20 0.37
POLA1 P09884 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL6695928 0.83 POLA1 (0.48) KCNH2POLA1MEN1KMT2AENPP2
SCHEMBL6667762 0.82 MEN1 (0.42) BACE1KDM4EEGFRCDK2KCNH2
SCHEMBL6668085 0.79 POLA1 (0.42) KCNH2POLA1RAB9AENPP2
SCHEMBL6667777 0.77 RAB9A (0.55) BACE1KDM4EEGFRCDK2KCNH2
SCHEMBL6667472 0.76 MEN1 (0.41) KDM4EKCNH2POLA1MEN1KMT2A
SCHEMBL6669289 0.76 NPC1 (0.40) BACE1KDM4EEGFRCDK2KCNH2
SCHEMBL6974853 0.73 KCNH2 (0.47) KCNH2POLA1RAB9AENPP2
SCHEMBL6666561 0.72 MAPT (0.39) KDM4EKCNH2POLA1MEN1KMT2A
SCHEMBL6670577 0.71 TSHR (0.47) KDM4EKCNH2POLA1MAPTENPP2
SCHEMBL6980565 0.70 KCNH2 (0.44) KCNH2POLA1ENPP2

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
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed