SCHEMBL7828361

SCHEMBL7828361

CONC(C(=O)O)c1csc(N)n1.Cc1ccnc(NC(=O)CCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
MAPK10 P53779 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
EGFR P00533 2/20 0.40
ERBB3 P21860 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK8 P45983 1/20 0.39
GSK3A P49840 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
SNRK Q9NRH2 1/20 0.39

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
SCHEMBL10753156 0.76 BACE1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9355248 0.76 BACE1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8434070 0.70 RAB9A (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9093258 0.67 RAB9A (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9664553 0.67 RAB9A (0.69) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8336518 0.67 BACE1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13922829 0.66 RAB9A (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17817587 0.65 RAB9A (0.66) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13668923 0.65 EGFR (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13922820 0.64 RAB9A (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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