SCHEMBL6670577

SCHEMBL6670577

COc1ccc(CCC(C)NCc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)n[nH]c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 7/20 0.42
POLA1 P09884 2/20 0.42
MAPT P10636 1/20 0.40
ABCB1 P08183 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ACP1 P24666 1/20 0.38
ENPP2 Q13822 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
SCHEMBL6668180 0.81 TSHR (0.49) TSHRKDM4EKCNH2POLA1MAPT
SCHEMBL6974853 0.79 KCNH2 (0.47) TSHRKCNH2POLA1ENPP2
SCHEMBL6670571 0.78 KDM4E (0.39) TSHRKDM4EKCNH2HIF1AEPAS1
SCHEMBL6980565 0.77 KCNH2 (0.44) KCNH2POLA1ENPP2
SCHEMBL6667762 0.76 MEN1 (0.42) KDM4EKCNH2POLA1MAPT
SCHEMBL6695789 0.73 POLA1 (0.54) TSHRKCNH2POLA1ABCB1ENPP2
SCHEMBL6690162 0.73 POLA1 (0.54) TSHRKCNH2POLA1ABCB1ENPP2
SCHEMBL6699742 0.72 POLA1 (0.59) TSHRKCNH2POLA1ABCB1
SCHEMBL6697394 0.71 POLA1 (0.59) TSHRKCNH2POLA1ABCB1
SCHEMBL6694375 0.71 KCNH2 (0.57) TSHRKCNH2POLA1ABCB1

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 1 patent. 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