SCHEMBL7826558

SCHEMBL7826558

O=C(O)c1ccccc1C(=O)Nc1ccc(Br)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
MAPT P10636 6/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TP53 P04637 1/20 0.54
GRM1 Q13255 1/20 0.54
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
DHODH Q02127 1/20 0.52
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
ACLY P53396 1/20 0.51
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL30451351 0.88 RAB9A (0.73) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL16140720 0.85 RAB9A (0.78) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL1307557 0.84 TP53 (0.67) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL24252964 0.83 MAPT (0.66) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL2700280 0.81 CYP1A2 (0.77) RAB9AMAPTGAAALDH1A1KDM4E
SCHEMBL21089188 0.81 MAPT (0.74) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL22113944 0.79 KMT2A (0.58) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL16138819 0.79 ALDH1A1 (0.51) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL17407572 0.79 KMT2A (0.55) RAB9AMAPTGAAALDH1A1LMNA
SCHEMBL22007921 0.78 MEN1 (0.64) RAB9AMAPTALDH1A1LMNATDP1

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