SCHEMBL11283121

SCHEMBL11283121

CCOC(=O)Cn1c2cccccc-2c(C#N)c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 1/20 0.58
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SQOR Q9Y6N5 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11271085 0.83 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11275890 0.82 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL11272196 0.82 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11277993 0.81 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11279025 0.80 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11279531 0.74 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL11282506 0.74 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL22605349 0.73 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL9157389 0.72 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL11277508 0.70 KDM4E (0.58) MEN1KMT2AKDM4EALDH1A1TDP1

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-4337265-A COMPLICATIONS OF DIABETES AYERST, MCKENNA & HARRISON INC. (CA) 1982-06-29 US disclosed