SCHEMBL3654642

SCHEMBL3654642

[2H]Oc1ccc(COC)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ DBH P09172 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
SCHEMBL1736274 0.89 POLB (0.52) POLBMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL11247481 0.80 CYP3A4 (0.50) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2346437 0.80 GPR35 (0.51) POLBMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL14662012 0.78 ALDH1A1 (0.51) MAPTNPSR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL30209222 0.78 SNCA (0.41) ALDH1A1SMN1; SMN2SNCAKDM4ELMNA
SCHEMBL26458399 0.77 SMN1; SMN2 (0.43) POLBMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL11231634 0.76 TSHR (0.54) POLBMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL29707982 0.76 VCAM1 (0.51) POLBMAPTALDH1A1MAPK1HPGD
SCHEMBL15880684 0.76 VCAM1 (0.51) POLBMAPTALDH1A1MAPK1HPGD
SCHEMBL2708859 0.76 ALDH1A1 (0.51) MAPTNPSR1ALDH1A1SMN1; SMN2MAPK1

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-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 — — EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 — — WO disclosed
Send feedback