SCHEMBL7814593

SCHEMBL7814593

CCN(CC)c1ccc(C=Nc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.52
MAPT P10636 9/20 0.52
KDM4E B2RXH2 9/20 0.52
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 7/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 3/20 0.46
GFER P55789 2/20 0.46
GLA P06280 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
SCHEMBL7814591 1.00 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7829424 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7829422 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1720334 0.85 CA2 (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7827463 0.81 CA2 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7827465 0.81 CA2 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7823202 0.79 CA2 (0.49) ALDH1A1LMNASMN1; SMN2TSHRCASP1
SCHEMBL7823200 0.79 CA2 (0.49) ALDH1A1LMNASMN1; SMN2TSHRCASP1
SCHEMBL7973182 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7973180 0.79 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed