SCHEMBL7458907

SCHEMBL7458907

CCOC(=O)c1[nH]c2ccc(OCc3ccc(C#N)cc3)cc2c1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 6/20 0.40
HPGD P15428 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40

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
SCHEMBL7472621 0.91 MAPT (0.51) MAPTMEN1KMT2AHSD17B10CYP1A2
SCHEMBL7471263 0.90 GABRA1 (0.51) MAPTMEN1KMT2AHSD17B10CYP1A2
SCHEMBL7461988 0.88 MAOB (0.43) MAPTMEN1KMT2AHSD17B10CYP1A2
SCHEMBL7462845 0.82 ALOX5 (0.49) MAPTMEN1KMT2AHSD17B10CYP1A2
SCHEMBL7465568 0.81 EDNRB (0.47) MAPTMEN1KMT2AHSD17B10CYP1A2
SCHEMBL7465999 0.80 NR4A2 (0.42) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7466748 0.79 KDM4E (0.49) MAPTHSD17B10CYP1A2CYP2C9ALDH1A1
SCHEMBL7458027 0.77 S1PR1 (0.46) MAPTHSD17B10HPGDKDM4ELMNA
SCHEMBL8387936 0.76 MAPT (0.47) MAPTTSHRHPGDSMN1; SMN2LMNA
SCHEMBL7466286 0.75 MAOA (0.49) MAPTMEN1KMT2AHSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021181-A4 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORP (US) 2002-06-26 EP disclosed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP disclosed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed