SCHEMBL25068629

SCHEMBL25068629

c1ccc(-c2nc3ccccc3s2)c(OOc2ccccc2-c2nc3ccccc3s2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
GAA P10253 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HCRTR1 O43613 1/20 0.58
GLA P06280 1/20 0.58
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.53
POLB P06746 2/20 0.51
ILK Q13418 4/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL30161844 0.86 ALDH1A1 (0.76) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21752785 0.86 ALDH1A1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2088159 0.86 ALDH1A1 (0.76) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23465937 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2088155 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18411349 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21753766 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20959856 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21131752 0.86 KDM4E (0.63) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18525488 0.86 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed