SCHEMBL29817829

SCHEMBL29817829

O=c1c2c([nH]c3ccc(Oc4ccccc4)cc13)CCC2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
MAPT P10636 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL29817790 0.97 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817801 0.96 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817795 0.88 HSD17B10 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817900 0.88 HSD17B10 (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817787 0.88 HSD17B10 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817632 0.86 HSD17B10 (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817655 0.86 HSD17B10 (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817659 0.85 HSD17B10 (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817763 0.85 HSD17B10 (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE
SCHEMBL29817752 0.85 HSD17B10 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10BCHE

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-2022161556-A1 TACRINE DERIVATIVES POSSESSING DUAL ACTIVITY AND THEIR USE FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) 2022-08-04 WO disclosed