SCHEMBL7407203

SCHEMBL7407203

CCCCC(=NNC(=O)c1ccccc1)OCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
OGG1 O15527 1/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAAA Q02083 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9402319 0.86 HDAC3 (0.48) SMN1; SMN2MAPTALDH1A1KMT2AGAA
SCHEMBL9402192 0.80 HDAC3 (0.51) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL6509706 0.78 ALDH1A1 (0.55) SMN1; SMN2MAPTALDH1A1OGG1KMT2A
SCHEMBL9032469 0.76 MAPT (0.40) SMN1; SMN2MAPTALDH1A1GAARAB9A
SCHEMBL5799993 0.75 SMN1; SMN2 (0.74) SMN1; SMN2MAPTALDH1A1KMT2AGAA
SCHEMBL6702015 0.75 SMN1; SMN2 (0.74) SMN1; SMN2MAPTALDH1A1KMT2AGAA
SCHEMBL27177912 0.74 OGG1 (0.65) SMN1; SMN2MAPTALDH1A1OGG1KMT2A
SCHEMBL12127247 0.74 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1KMT2AGAA
SCHEMBL27177905 0.74 OGG1 (0.65) SMN1; SMN2MAPTALDH1A1OGG1KMT2A
SCHEMBL27178002 0.74 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1KMT2AGAA

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-0515546-A4 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-05-12 EP disclosed
US-5177095-A Hypotensive agents MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0515546-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed
WO-1991011909-A1 TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed