SCHEMBL16396155

SCHEMBL16396155

O=[N+]([O-])c1cccc(C(O)Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ACP3 P15309 1/20 0.56
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
GRM8 O00222 3/20 0.47
GRM6 O15303 3/20 0.47
GRM4 Q14833 3/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL7229711 0.87 KMT2A (0.54) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL1983563 0.83 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL2367944 0.83 L3MBTL1 (0.64) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL6743779 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL7110594 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL2234292 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL6745214 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL9154689 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
SCHEMBL31376571 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1HTTHPGDMEN1
Ammonia Solution, Strong SCHEMBL8975868 0.82 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTHPGDMEN1

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-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO disclosed