SCHEMBL28338278

SCHEMBL28338278

Clc1nc2c[c]ccc2nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
PKM P14618 1/20 0.68
L3MBTL1 Q9Y468 5/20 0.51
LMNA P02545 6/20 0.47
GAA P10253 4/20 0.47
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
OPRK1 P41145 1/20 0.35

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
SCHEMBL15987437 0.88 KDM4E (0.50) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL1545355 0.82 KDM4E (1.00) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL28828233 0.81 KDM4E (0.65) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL11227486 0.80 TDP1 (0.50) KDM4EPKML3MBTL1TDP1
SCHEMBL19819297 0.78 KDM4E (0.92) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL28474575 0.74 KDM4E (0.81) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL23844 0.73 MAPT (0.55) KDM4EL3MBTL1LMNAGAATDP1
SCHEMBL15647424 0.73 RORC (0.45) KDM4EPKMLMNATDP1
SCHEMBL27316158 0.73 KDM4E (0.74) KDM4EPKML3MBTL1LMNAGAA
SCHEMBL23024890 0.73 KDM4E (0.74) KDM4EPKML3MBTL1LMNAGAA

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-110573154-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2019-12-13 CN disclosed