SCHEMBL28370239

SCHEMBL28370239

COC(=O)c1sc2ccc(C(=O)O)cc2c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
GLA P06280 3/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
ALOX15 P16050 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
NCOA1 Q15788 1/20 0.53
RCE1 Q9Y256 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL16096207 0.91 KDM4E (0.66) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL8148717 0.85 KDM4E (0.58) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL16096208 0.85 IKBKB (0.45) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL8141564 0.84 KDM4E (0.68) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL28370458 0.83 LMNA (0.46) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL17149279 0.82 KDM4E (0.66) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL31519888 0.81 KDM4E (0.64) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL2063500 0.81 KDM4E (0.64) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL4547547 0.81 ALDH1A1 (0.64) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL2063949 0.81 KDM4E (0.64) KDM4EALDH1A1GLAHPGDHSD17B10

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-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed