SCHEMBL22698574

SCHEMBL22698574

Clc1nccc2sc3ccc(Br)cc3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPM2A O95278 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
ERBB2 P04626 1/20 0.35
PTK6 Q13882 1/20 0.35
CYP2A6 P11509 2/20 0.35
IDO1 P14902 1/20 0.34
MIF P14174 1/20 0.33
NPC1 O15118 2/20 0.33
HIPK2 Q9H2X6 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
HTT P42858 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL30450607 1.00 EPM2A (0.35) EPM2APTPN2PTPN1PTPN22ERBB2
SCHEMBL10227304 0.78 EPM2A (0.45) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL1743872 0.77 EPM2A (0.35) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL24057785 0.76 GPR3 (0.46) MIFNPC1HTTLMNASMN1; SMN2
SCHEMBL22698577 0.76 MAPT (0.40) NPC1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL25547960 0.74 MAPT (0.40) CYP2A6HIPK2PLAULMNAMAPT
SCHEMBL29976528 0.73 HDAC3 (0.41) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL19656439 0.73 HDAC3 (0.41) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL29432245 0.72 EPM2A (0.53) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL216673 0.72 EPM2A (0.53) EPM2APTPN2PTPN1PTPN22CYP2A6

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-2019212287-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed