SCHEMBL7470727

SCHEMBL7470727

O=CN(c1ccccc1)c1ccc2[nH]c(C(=O)O)c(Cc3cc4c(cc3Cl)OCO4)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
GRIN1 Q05586 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 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
SCHEMBL7489145 0.80 MEN1 (0.44) HTTMEN1KMT2ATSHR
SCHEMBL9285297 0.78 HTT (0.53) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL7466748 0.77 KDM4E (0.49) HTTALDH1A1MAPTHPGD
SCHEMBL7488181 0.76 HTT (0.47) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL7470931 0.76 MAOA (0.49)
SCHEMBL7137422 0.75 MCL1 (0.42) HTTMEN1KMT2ATSHRALDH1A1
SCHEMBL7468641 0.73 MCL1 (0.40) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL7466880 0.73 POLB (0.43) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL7462856 0.72 AR (0.47) HTTALDH1A1HPGD
SCHEMBL7465999 0.72 NR4A2 (0.42) HTTMEN1KMT2AALDH1A1MAPT

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 6 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 claimed
EP-1021181-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-26 EP claimed
WO-1997035572-A1 CARBOXYLIC ACID INDOLE INHIBITORS OF CHEMOKINES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
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