SCHEMBL6428865

SCHEMBL6428865

CC(=O)C1CNCCN1CC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL28231353 0.80 KDM4E (0.33) KDM4EHTR2AHTR2CMAPTKMT2A
Hydrochloric Acid SCHEMBL3182984 0.78 DPP4 (0.34) KDM4EMAPTKMT2AATMCYP2D6
Hydrochloric Acid SCHEMBL3182976 0.78 DPP4 (0.34) KDM4EMAPTKMT2AATMCYP2D6
SCHEMBL23751025 0.78 ATAD2 (0.33)
SCHEMBL27717165 0.78 F2 (0.36)
SCHEMBL18637502 0.77 PIK3CD (0.36) KDM4E
Hydrochloric Acid SCHEMBL4493765 0.76 F2 (0.38)
SCHEMBL4747560 0.75 DPP4 (0.39) KDM4E
SCHEMBL4667961 0.75 TP53 (0.36)
SCHEMBL3624075 0.75 CA1 (0.34) 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-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed