SCHEMBL14720397

SCHEMBL14720397

O=C(C[C@@H]1CCN(C(=O)O)C1)Nc1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.58
AAK1 Q2M2I8 1/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GRK2 P25098 1/20 0.45
RECQL P46063 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL14152092 0.92 THRB (0.52) THRBAAK1ALDH1A1NPC1HSD17B10
SCHEMBL15874474 0.80 THRB (0.52) THRBAAK1ALDH1A1NPC1POLB
SCHEMBL15874475 0.80 THRB (0.52) THRBAAK1ALDH1A1NPC1POLB
SCHEMBL14720227 0.80 KMT2A (0.61) THRBALDH1A1NPC1KMT2ATP53
SCHEMBL14718338 0.80 AAK1 (0.52) THRBAAK1NPC1KMT2AMAPT
SCHEMBL18115998 0.78 THRB (0.46) THRBALDH1A1NPC1POLBKMT2A
SCHEMBL14720195 0.76 USP30 (0.55) THRBAAK1ALDH1A1NPC1HSD17B10
SCHEMBL14720615 0.76 DRD2 (0.50) THRBALDH1A1NPC1KMT2AMAPT
SCHEMBL2298365 0.75 THRB (0.44) THRBAAK1ALDH1A1NPC1HSD17B10
SCHEMBL14720196 0.75 HDAC2 (0.46) THRBAAK1ALDH1A1NPC1HSD17B10

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