SCHEMBL28518685

SCHEMBL28518685

O=C(Cc1ccc(Br)cn1)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
GLS O94925 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL18275272 0.82 MLYCD (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL18275161 0.78 RORC (0.53) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL18275292 0.77 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL18275343 0.77 GLS (0.38) ALDH1A1MAPTMEN1KMT2AGLS
SCHEMBL28507926 0.77 GAA (0.83) GAASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL14658652 0.76 NPC1 (0.61) GAASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL18275168 0.76 RORC (0.41) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL3662503 0.75 GLS (0.45) GAAPOLBALDH1A1MAPTNPC1
SCHEMBL18275172 0.74 CYP1A2 (0.40) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL31241075 0.74 RAB9A (0.74) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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
CN-110218182-B IDO inhibitors 南京亘泰医药技术有限公司 2021-01-26 CN disclosed