SCHEMBL7820722

SCHEMBL7820722

O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
HPGD P15428 2/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
P4HTM Q9NXG6 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
MCL1 Q07820 1/20 0.48
APOBEC3A P31941 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29360280 0.89 MEN1 (0.57) CYP1A2HPGDCYP2C19NPC1RAB9A
SCHEMBL42567 0.89 MEN1 (0.57) CYP1A2HPGDCYP2C19NPC1RAB9A
SCHEMBL7824641 0.84 MAPT (0.63) CYP1A2HPGDCYP2C19ALDH1A1MEN1
SCHEMBL7823201 0.84 TAS1R3 (0.55) NPC1RAB9AP4HTMALDH1A1MEN1
SCHEMBL7821493 0.84 HPGD (0.58) CYP1A2HPGDNPC1RAB9AALDH1A1
SCHEMBL7827337 0.81 PDCD1 (0.55) HPGDNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL2761484 0.81 GAA (0.55) CYP1A2HPGDNPC1RAB9AALDH1A1
SCHEMBL11248349 0.80 SMN1; SMN2 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12189441 0.79 L3MBTL1 (0.56) RAB9AL3MBTL1ALDH1A1ATMMAPT
SCHEMBL7534495 0.78 CYP1A2 (0.51) CYP1A2HPGDCYP2C19NPC1RAB9A

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