SCHEMBL7824342

SCHEMBL7824342

O=C(CC(C(=O)O)c1ccc(Cl)cc1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
POLB P06746 2/20 0.76
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 4/20 0.54
CYP2D6 P10635 1/20 0.48
GSK3B P49841 1/20 0.46
PDPK1 O15530 1/20 0.45
MAPK9 P45984 1/20 0.44

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
SCHEMBL7828782 1.00 KMT2A (1.00) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL728227 0.92 POLB (0.88) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL7823312 0.86 POLB (1.00) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL15075817 0.86 POLB (0.77) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL15075815 0.86 POLB (0.77) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL7821921 0.86 POLB (0.77) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL7822144 0.85 POLB (1.00) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL28747379 0.84 KMT2A (0.70) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL657374 0.84 KMT2A (0.72) KMT2APOLBCYP2C9CYP2C19L3MBTL1
SCHEMBL7824145 0.82 CYP2C9 (1.00) KMT2APOLBCYP2C9CYP2C19L3MBTL1

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