SCHEMBL14720267

SCHEMBL14720267

CC(C)(C)[N+]1(C(=O)O)CC[C@@H](CC(=O)Nc2ccc(Br)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GRK2 P25098 1/20 0.41
RECQL P46063 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
FPR2 P25090 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
SCHEMBL14720137 0.82 KMT2A (0.54) NPC1RAB9APOLBTP53
SCHEMBL14720296 0.78 MAP2K1 (0.43) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL14720555 0.76 FASN (0.37)
SCHEMBL14720417 0.70 HDAC3 (0.41) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL14720397 0.70 THRB (0.58) AAK1NPC1RAB9AALDH1A1MAPT
SCHEMBL14720195 0.70 USP30 (0.55) AAK1NPC1ALDH1A1MAPTTDP1
SCHEMBL2491853 0.68 LMNA (0.66) NPC1RAB9AALDH1A1MAPTTDP1
SCHEMBL14720616 0.68 LIMK2 (0.36)
SCHEMBL1762219 0.67 NPC1 (0.59) NPC1RAB9AALDH1A1MAPTTDP1
SCHEMBL6004945 0.66 SMN1; SMN2 (0.63) NPC1RAB9AALDH1A1MAPTTDP1

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
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed