SCHEMBL7830106

SCHEMBL7830106

COc1cc(OC)cc(Oc2ccc(CNc3cc(C)nc4cc(C(C)(C)C)nn34)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.48
TP53 P04637 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
HSD17B10 Q99714 2/20 0.46
BRD4 O60885 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AURKA O14965 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
LTK P29376 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL7831632 0.89 BRD4 (0.42) PDE2ATP53KDM4EALDH1A1HPGD
SCHEMBL5453718 0.82 TP53 (0.58) PDE2ATP53KDM4EALDH1A1HPGD
SCHEMBL7827833 0.82 KDM4E (0.56) PDE2ATP53KDM4EALDH1A1HPGD
SCHEMBL7831493 0.80 CDK2 (0.54) TP53KDM4EALDH1A1HPGDRAB9A
SCHEMBL7819484 0.76 TP53 (0.59) TP53KDM4EALDH1A1HPGDRAB9A
SCHEMBL7830946 0.76 TP53 (0.48) TP53KDM4EALDH1A1HPGDRAB9A
SCHEMBL7833669 0.74 GSK3B (0.57) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7819164 0.73 TP53 (0.49) TP53KDM4EALDH1A1HPGDRAB9A
SCHEMBL5468155 0.73 KCNN3 (0.55) PDE2ATP53KDM4EALDH1A1HPGD
SCHEMBL5456353 0.73 KCNN3 (0.52) PDE2ATP53KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP claimed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP disclosed