SCHEMBL3720178

SCHEMBL3720178

CCOc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
S1PR1 P21453 1/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 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
SCHEMBL29098922 0.87 HPGD (0.50) HPGDTSHRLMNARAB9ASMN1; SMN2
SCHEMBL29098918 0.85 SMN1; SMN2 (0.45) HPGDTSHRLMNARAB9ASMN1; SMN2
SCHEMBL4704298 0.83 MAPK1 (0.43) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL182753 0.83 TSHR (0.56) HPGDTSHRLMNARAB9ASMN1; SMN2
SCHEMBL31096231 0.83 TSHR (0.56) HPGDTSHRLMNARAB9ASMN1; SMN2
SCHEMBL29098920 0.83 SMN1; SMN2 (0.45) HPGDS1PR1LMNARAB9ASMN1; SMN2
SCHEMBL12144470 0.81 AAK1 (0.42) SLC6A4HRH4
SCHEMBL16961147 0.81 L3MBTL1 (0.50) HPGDTSHRS1PR1RAB9ASMN1; SMN2
SCHEMBL4573180 0.80 KDM4E (0.41) TSHRSMN1; SMN2HRH4TDP1KDM4E
SCHEMBL30011026 0.80 KDM4E (0.41) TSHRSMN1; SMN2HRH4TDP1KDM4E

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed