SCHEMBL4268570

SCHEMBL4268570

FC(F)Oc1ccc(-c2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.52
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
MAT2A P31153 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BAZ2A Q9UIF9 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
AOC3 Q16853 1/20 0.36
PLAT P00750 1/20 0.36

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
Bromide SCHEMBL2973364 0.99 HPGDS (0.51) HPGDSNPC1RAB9AALDH1A1GAA
SCHEMBL4257174 0.83 RAB9A (0.60) HPGDSNPC1RAB9AALDH1A1GAA
SCHEMBL4270395 0.82 HPGDS (0.52) HPGDSNPC1RAB9ASMN1; SMN2L3MBTL1
Bromide SCHEMBL2972856 0.82 NPC1 (0.62) HPGDSNPC1RAB9AALDH1A1GAA
Bromide SCHEMBL2973044 0.81 HPGDS (0.51) HPGDSNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3772350 0.81 HPGDS (0.59) HPGDSNPC1RAB9AALDH1A1GAA
SCHEMBL2969067 0.81 NPC1 (0.45) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL2980022 0.80 SMN1; SMN2 (0.43) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL4259512 0.79 HPGDS (0.59) HPGDSNPC1RAB9AALDH1A1GAA
SCHEMBL4262100 0.79 HPGDS (0.59) HPGDSNPC1RAB9AALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed