SCHEMBL18537604

SCHEMBL18537604

Cc1cc(CO)c2c(N)c(ONc3cccc4ccccc34)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
L3MBTL1 Q9Y468 6/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SRC P12931 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL424943 0.71 L3MBTL1 (0.81) L3MBTL1MAPTTP53MEN1KMT2A
SCHEMBL18537726 0.70 IKBKB (0.68) IKBKBL3MBTL1MAPTPOLBKDM4E
SCHEMBL18537603 0.68 L3MBTL1 (0.48) IKBKBL3MBTL1MAPTTP53MEN1
SCHEMBL425769 0.66 MEN1 (0.77) L3MBTL1MAPTTP53MEN1KMT2A
SCHEMBL3173443 0.65 IKBKB (1.00) IKBKBL3MBTL1MAPTPOLBKDM4E
SCHEMBL19000082 0.65 IKBKB (0.64) IKBKBL3MBTL1MAPTPOLBKDM4E
SCHEMBL18537728 0.65 IKBKB (0.65) IKBKBL3MBTL1MAPTTP53MEN1
SCHEMBL431480 0.63 LMNA (0.69) L3MBTL1MAPTTP53MEN1KMT2A
SCHEMBL18537602 0.62 LMNA (0.47) MAPTMEN1KMT2ARXFP1ALDH1A1
SCHEMBL10978305 0.58 ALDH1A1 (0.52) MAPTTP53KMT2AKDM4EALDH1A1

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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed