SCHEMBL10920505

SCHEMBL10920505

O=c1n(CC2CO2)c2ccccc2n1CC1CO1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.66
▸ TP53 P04637 1/20 0.65
▸ HBB P68871 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ APEX1 P27695 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL31290216 1.00 DHFR (0.66) DHFRTP53HBBSMN1; SMN2APEX1
Teroxirone SCHEMBL4472568 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL2097375 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL28584318 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL2097151 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL4932 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL4461477 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL4470513 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
Teroxirone SCHEMBL4452999 0.80 TP53 (1.00) DHFRTP53HBBSMN1; SMN2MAPT
SCHEMBL15164280 0.79 TP53 (0.64) DHFRTP53HBBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033503-B1 MEDICAMENTS WITH CYTOSTATIC ACTIVITY AND USE OF CYCLIC COMPOUNDS, IN WHICH THE HETEROCYCLIC N-RING ATOMS ARE SUBSTITUTED BY SEVERAL GLYCIDYL GROUPS, IN PHARMACEUTICAL COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1986-09-10 — — EP disclosed
EP-0033503-A2 Medicaments with cytostatic activity and use of cyclic compounds, in which the heterocyclic N-ring atoms are substituted by several glycidyl groups, in pharmaceutical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-08-12 — — EP disclosed
EP-0033503-A2 Medicaments with cytostatic activity and use of cyclic compounds, in which the heterocyclic N-ring atoms are substituted by several glycidyl groups, in pharmaceutical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-08-12 — — EP disclosed
US-3985825-A EPOXIDE RESIN MOLDING MATERIALS FROM POLYESTER-DICARBOXYLIC ACIDS CIBA-GEIGY CORPORATION (US) 1976-10-12 — — US disclosed
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