SCHEMBL8510951

SCHEMBL8510951

CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCC(NC(=N)N)CC4)n3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.45
RET P07949 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
PIK3CA P42336 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMO Q99835 1/20 0.37
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CB P42338 1/20 0.36
STK17A Q9UEE5 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34

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
Hydrochloric Acid SCHEMBL8512387 0.99 DKK1 (0.44) DKK1RETRARARARBPIK3CA
SCHEMBL8514868 0.83 DKK1 (0.64) DKK1RETRARARARBPIK3CA
SCHEMBL8515262 0.83 RARA (0.45) RARARARBSMO
SCHEMBL8511490 0.83 DKK1 (0.42) DKK1RARARARBPIK3CAPIK3CD
Hydrochloric Acid SCHEMBL8612509 0.82 RARA (0.44) RARARARBSMO
SCHEMBL12805010 0.82 CKS1B (0.47) DKK1RETRARARARBCCNE1
Hydrochloric Acid SCHEMBL8511494 0.82 DKK1 (0.63) DKK1RETRARARARBPIK3CA
Hydrochloric Acid SCHEMBL8515565 0.82 DKK1 (0.41) DKK1RARARARBPIK3CAPIK3CD
SCHEMBL2012211 0.80 DKK1 (0.57) DKK1RETRARARARBPIK3CA
SCHEMBL2012214 0.80 DKK1 (0.57) DKK1RETRARARARBPIK3CA

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed