SCHEMBL28080901

SCHEMBL28080901

CCCc1nc2c(C)cc(OC=O)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.33
PRKCZ Q05513 1/20 0.32
CACNA1H O95180 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CBFB Q13951 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
TP53 P04637 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
SCHEMBL1118704 0.80 ACACB (0.39) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL3712698 0.79 KMT2A (0.38) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL19342748 0.76 KDM4E (0.44) ACACBACACAKMT2AKDM4EPRKCZ
SCHEMBL27809455 0.76 KMT2A (0.36) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL1918148 0.74 EGLN1 (0.40) ACACBACACAKMT2AKDM4EPRKCZ
SCHEMBL158112 0.72 ACACB (0.45) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL3707018 0.72 ACACB (0.43) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL159894 0.72 ACACB (0.43) ACACBACACAKMT2AKDM4EMAPK1
SCHEMBL3640946 0.71 ACACB (0.36) ACACBACACAKMT2AKDM4EPRKCZ
SCHEMBL28048356 0.71 ACACB (0.44) ACACBACACAKMT2AKDM4EMAPK1

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
CN-105717745-A Photosensitive polysiloxane composition, protective film and element with protective film 奇美实业股份有限公司 2016-06-29 CN disclosed