SCHEMBL5220663

SCHEMBL5220663

[CH2][CH]c1oc(-c2ccc(Br)cc2)nc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.36
NPC1 O15118 8/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DGAT1 O75907 1/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TARBP2 Q15633 1/20 0.35
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 2/20 0.33

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
SCHEMBL4473392 0.85 NPC1 (0.39) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL4469328 0.74 TARBP2 (0.39) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL4473360 0.73 TARBP2 (0.41) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL6221124 0.71 TARBP2 (0.39) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL4482083 0.71 TARBP2 (0.39) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL4478483 0.69 NPC1 (0.43) RAB9ANPC1RXFP1MAPTKMT2A
SCHEMBL4475581 0.67 IKBKB (0.43) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL4462656 0.66 TARBP2 (0.62) RAB9ANPC1MAPTKMT2AKDM4E
SCHEMBL5217558 0.66 TARBP2 (0.49) RAB9ANPC1RXFP1DGAT1MAPT
SCHEMBL15166547 0.66 KMT2A (0.38) RAB9ANPC1RXFP1DGAT1MAPT

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-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed