SCHEMBL1798169

SCHEMBL1798169

CC(NC1CCCNC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 3/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CHEK1 O14757 4/20 0.37
APLNR P35414 2/20 0.37
NOS2 P35228 1/20 0.37
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36

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
SCHEMBL1798175 1.00 KDM4E (0.44) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1801069 0.90 KCNH2 (0.40) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1801065 0.90 KCNH2 (0.40) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL6371477 0.85 CPN1 (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL384884 0.85 CPN1 (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL384885 0.85 CPN1 (0.45) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL1802729 0.79 EPHX1 (0.45) KDM4EKMT2ATSHRNOS2KDM1A
SCHEMBL1802725 0.79 EPHX1 (0.45) KDM4EKMT2ATSHRNOS2KDM1A
SCHEMBL6314603 0.78 EPHX1 (0.48) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL7619038 0.78 EPHX1 (0.48) KDM4EMAPTKMT2AATMCYP2D6

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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed