SCHEMBL11522735

SCHEMBL11522735

O=[N+]([O-])c1ccc(OCCN(Cc2ccccc2)CC(O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.49
KCNH2 Q12809 6/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL8671546 0.91 KCNH2 (0.51) ABCG2KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL11522447 0.84 L3MBTL1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL4950622 0.82 NR1H3 (0.53) L3MBTL1
SCHEMBL28373072 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL16796535 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL18119917 0.81 CRHBP (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11521588 0.81 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11524514 0.80 KCNH2 (0.55) ABCG2KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL11523856 0.79 NOX1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL19212464 0.78 CA12 (0.47) KCNH2ALDH1A1LMNASMN1; SMN2MEN1

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
US-4137328-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1979-01-30 US disclosed