SCHEMBL21369992

SCHEMBL21369992

COC(=O)c1nsc(-c2ccccc2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 3/20 0.55
GRM6 O15303 1/20 0.51
GRM5 P41594 1/20 0.51
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 3/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL1809679 0.83 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1807037 0.80 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL6814697 0.76 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496791 0.75 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL4870668 0.74 GAA (0.65) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1340230 0.73 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL18720019 0.72 GRM1 (0.51) KDM4EALDH1A1SMN1; SMN2HPGDGRM6
SCHEMBL980858 0.72 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL20028494 0.71 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496802 0.71 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed