SCHEMBL9753064

SCHEMBL9753064

CC(O)C(Oc1ccc([N+](=O)[O-])cc1)N(C)Cc1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
XDH P47989 1/20 0.41
POLB P06746 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CXCR3 P49682 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36

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
Hydrochloric Acid SCHEMBL9753045 0.99 MMP2 (0.42) MMP2MMP9MMP8MMP13MAPT
SCHEMBL9753047 0.80 ALDH1A1 (0.46) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL9732366 0.78 ALDH1A1 (0.51) MMP2MMP9MMP8MMP13MAPT
Hydrochloric Acid SCHEMBL9733184 0.77 GAA (0.52) MMP2MMP9MMP8MMP13MAPT
SCHEMBL9753181 0.75 HTR2A (0.37) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL29151231 0.73 MMP2 (0.56) MMP2MMP9MMP8MMP13MAPT
SCHEMBL30354802 0.73 MMP2 (0.56) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4774736 0.72 GAA (0.50) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL3612322 0.69 GAA (0.49) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL9732375 0.68 ADRB1 (0.53) MMP2MMP9MMP8MMP13MAPT

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-1991009023-A1 N-HETEROARALKYL-SUBSTITUTED 1-ARYLOXY-2-PROPANOLAMINE AND PROPYLAMINE DERIVATIVES POSSESSING CLASS III ANTIARRHYTHMIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-27 WO claimed