SCHEMBL1801065

SCHEMBL1801065

CC(NC1CCNC1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
EPHX1 P07099 2/20 0.38
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
RPS6KB1 P23443 1/20 0.33
MAPK14 Q16539 1/20 0.33
SYK P43405 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKB Q96GD4 1/20 0.33
PARP1 P09874 1/20 0.33
DPP4 P27487 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL1801069 1.00 KCNH2 (0.40) KCNH2EPHX1KDM1AKDM4EMAPT
SCHEMBL1798169 0.90 KDM4E (0.44) KCNH2KDM1AKDM4EMAPTKMT2A
SCHEMBL1798175 0.90 KDM4E (0.44) KCNH2KDM1AKDM4EMAPTKMT2A
SCHEMBL1802725 0.89 EPHX1 (0.45) EPHX1KDM1AKDM4EKMT2APOLB
SCHEMBL1802729 0.89 EPHX1 (0.45) EPHX1KDM1AKDM4EKMT2APOLB
SCHEMBL825689 0.84 KCNH2 (0.41) KCNH2EPHX1KDM1APOLBSLC6A1
SCHEMBL825809 0.84 KCNH2 (0.41) KCNH2EPHX1KDM1APOLBSLC6A1
SCHEMBL31109672 0.84 KCNH2 (0.41) KCNH2EPHX1KDM1APOLBSLC6A1
SCHEMBL2156251 0.78
SCHEMBL2156260 0.78

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