SCHEMBL28378249

SCHEMBL28378249

O=C1C(NCc2ccccc2)=CC(=O)c2sccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
BLM P54132 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NSD2 O96028 1/20 0.57
THRB P10828 1/20 0.57
GALK1 P51570 1/20 0.57
PLEC Q15149 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
PTPRC P08575 1/20 0.42
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28381721 0.89 LMNA (0.57) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL28382720 0.86 KDM4E (0.41) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL28378055 0.84 RAB9A (0.41) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL30594072 0.84 RAB9A (0.41) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL30991482 0.79 MAPT (0.78) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL15690641 0.79 MAPT (0.78) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL28886770 0.78 MAPT (0.61) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL28887599 0.75 MEN1 (0.41) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL2556802 0.74 MEN1 (0.70) LMNAMAPTRAB9AL3MBTL1POLB
SCHEMBL30594077 0.74 RAB9A (0.41) LMNAMAPTRAB9AL3MBTL1POLB

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-110950749-A IDO inhibitor and preparation method and application thereof 中国科学院广州生物医药与健康研究院 2020-04-03 CN disclosed