SCHEMBL9857337

SCHEMBL9857337

CC(C)(C)C1CCC(C2=C(O)C(=O)c3ccccc3C2=O)CC1.Oc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.47
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.38
APAF1 O14727 1/20 0.36

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
SCHEMBL1151720 0.90 CDC25B (0.56) CDC25BMAPTTP53MEN1USP2
SCHEMBL1542903 0.90 CDC25B (0.56) CDC25BMAPTTP53MEN1USP2
SCHEMBL917366 0.90 CDC25B (0.56) CDC25BMAPTTP53MEN1USP2
SCHEMBL1152737 0.77 MAPT (0.44) CDC25BMAPTTP53MEN1USP2
SCHEMBL8444855 0.77 CDC25B (0.45) CDC25BMAPTTP53MEN1USP2
SCHEMBL1152792 0.76 MAPT (0.48) CDC25BMAPTTP53MEN1USP2
SCHEMBL9856788 0.74 CDC25B (0.45) CDC25BMAPTTP53MEN1USP2
SCHEMBL8136452 0.74 MAPT (0.51) CDC25BMAPTTP53MEN1USP2
Buparvaquone SCHEMBL8200585 0.74 CDC25B (0.66) CDC25BMAPTTP53MEN1USP2
SCHEMBL9856931 0.73 CDC25B (0.46) CDC25BMAPTTP53MEN1USP2

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-0123239-B1 IMPROVEMENTS IN OR RELATING TO ANTIPROTOZOAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-11 EP disclosed