SCHEMBL3166358

SCHEMBL3166358

CCOc1ccccc1C(=O)Nc1nc2c(s1)CCCC2C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
MAPT P10636 2/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 2/20 0.48
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3166329 0.85 LMNA (0.50) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL4803376 0.84 LMNA (0.51) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3157626 0.83 LMNA (0.50) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3166113 0.83 LMNA (0.53) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3171310 0.82 MAPT (0.53) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3166048 0.77 CSNK1D (0.51) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL3172806 0.77 RAB9A (0.66) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3167505 0.75 MAPT (0.53) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3157431 0.75 NPC1 (0.48) LMNAMAPTTP53ALDH1A1RAB9A
SCHEMBL3172964 0.74 PARP1 (0.47) LMNAMAPTALDH1A1RAB9ASMN1; SMN2

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-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed