SCHEMBL27907749

SCHEMBL27907749

CC(C)(C)c1cc(N)n(C(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.46
SORT1 Q99523 4/20 0.46
MAP3K14 Q99558 1/20 0.45
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
KLK3 P07288 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
ELANE P08246 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 2/20 0.41
HPGD P15428 2/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL20603916 0.80 GRN (0.47) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL4139015 0.77 KDM4E (0.44) GRNSORT1MAP3K14KDM4EMAPK13
SCHEMBL27621809 0.75 GRN (0.43) GRNSORT1MAPTKMT2AKDM4E
SCHEMBL2551230 0.75 KLK3 (0.52) MAP3K14MAPTKMT2AKLK3ELANE
SCHEMBL6054028 0.74 ENPP3 (0.43) GRNSORT1ELANEKDM4ESMN1; SMN2
SCHEMBL667656 0.72 KDM4E (0.40) GRNSORT1MAPTKMT2AELANE
SCHEMBL14378912 0.72 KDM4E (0.40) GRNSORT1KDM4ENPC1MAPK13
SCHEMBL2082052 0.71 GRN (0.55) GRNSORT1MAPTKMT2AMEN1
SCHEMBL15046195 0.70 KDM4E (0.44) GRNSORT1KDM4E
SCHEMBL13265589 0.70 KDM4E (0.44) GRNSORT1KDM4E

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-103131206-A Pyrazolopyridine benzocoumarin dye derivative and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS 2013-06-05 CN disclosed