SCHEMBL7821180

SCHEMBL7821180

CC(=O)Sc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6970770 0.78 PKM (0.50) PKMKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL7821174 0.76 PKM (0.65) PKMKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL707320 0.76 ALDH1A1 (0.63) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL18780239 0.75 PKM (0.56) PKMKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL6970766 0.75 ALDH1A1 (0.49) PKMKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL14234225 0.74 PKM (0.53) PKMKMT2AMEN1L3MBTL1CYP1A2
Acetic Acid SCHEMBL28420283 0.73 ALDH1A1 (0.52) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL28110473 0.72 ALDH1A1 (0.74) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL14920934 0.72 CYP1A2 (0.58) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL7676239 0.72 NPSR1 (0.56) PKMKMT2AMEN1L3MBTL1CYP1A2

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