SCHEMBL22052874

SCHEMBL22052874

Ic1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
NPC1 O15118 8/20 0.64
RAB9A P51151 8/20 0.64
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
GAA P10253 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
NPSR1 Q6W5P4 1/20 0.54
APP P05067 5/20 0.54
POLB P06746 2/20 0.53
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
ILK Q13418 3/20 0.51
GLA P06280 2/20 0.51
HCRTR1 O43613 1/20 0.51

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
SCHEMBL231307 0.86 KDM4E (0.75) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12854008 0.84 KDM4E (0.72) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL827403 0.80 RAB9A (0.67) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL2138149 0.79 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL8617042 0.78 KDM4E (0.64) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL2225061 0.78 KDM4E (0.64) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL914476 0.78 KDM4E (1.00) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5545830 0.78 KDM4E (0.64) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL4412613 0.78 RAB9A (0.64) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL196475 0.78 KDM4E (0.73) KDM4ENPC1RAB9AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020127145-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
WO-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed