SCHEMBL5775044

SCHEMBL5775044

COn1c(=O)cnc2cccc(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
ELANE P08246 3/20 0.35
PARP1 P09874 1/20 0.35
HTR1A P08908 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 4/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 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
SCHEMBL28682145 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL30932503 0.63 KDM4E (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2KMT2A
SCHEMBL29229044 0.63 KDM4E (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2KMT2A
SCHEMBL22655277 0.63 MAPT (0.46) ALDH1A1KDM4EHSD17B10TSHRHTR1A
SCHEMBL4724897 0.62 DPP4 (0.50) LMNASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL11848771 0.62 TNKS (0.37) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL11004052 0.62 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL4889521 0.61 TSHR (0.57) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL4202579 0.61 CYP1A2 (0.35) ALDH1A1KDM4EHSD17B10TSHRPARP1
SCHEMBL19337364 0.61 MEN1 (0.41) ALDH1A1ELANEPARP1SMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023046149-A1 QUINOXALINE COMPOUND AND MEDICINAL USE THEREOF 张文燕 2023-03-30 WO disclosed
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed