SCHEMBL2227329

SCHEMBL2227329

NCC1(c2nc(-c3ccc(F)cc3)cs2)CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.43
AR P10275 3/20 0.41
NPC1 O15118 2/20 0.41
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
SLC12A2 P55011 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL2228639 0.77 RAB9A (0.49) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2228209 0.74 ICMT (0.41) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2226898 0.67 RAB9A (0.49) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2228583 0.66 SLC6A2 (0.49) RAB9AALDH1A1ARNPC1DPP4
SCHEMBL28805133 0.65 CNR1 (0.44) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2227995 0.64 RAB9A (0.39) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2224668 0.64 LTA4H (0.47) RAB9AALDH1A1ALOX5ARNPC1
SCHEMBL2224157 0.64 RAB9A (0.49) RAB9AALDH1A1NPC1KDM4ELMNA
SCHEMBL2225312 0.64 RAB9A (0.49) RAB9AALDH1A1ALOX5NPC1KDM4E
SCHEMBL2225676 0.64 CNR2 (0.45) RAB9AALDH1A1ALOX5ARNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed