SCHEMBL5085893

SCHEMBL5085893

Cc1ccc2nc(C(F)(F)F)c(Cl)c(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
NCOA1 Q15788 1/20 0.54
HIF1A Q16665 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
ELANE P08246 2/20 0.48
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
ADRB2 P07550 3/20 0.42
ADRA2A P08913 1/20 0.41
HTR2C P28335 1/20 0.41
AXL P30530 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL11104124 0.85 LMNA (0.50) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL28732550 0.78 LMNA (0.49) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL9593290 0.78 LMNA (0.62) LMNASMN1; SMN2ELANEMAPTKDM4E
SCHEMBL9724222 0.77 LMNA (0.56) LMNASMN1; SMN2ELANEMAPTKDM4E
SCHEMBL28732557 0.77 LMNA (0.54) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL2124279 0.75 PIK3CA (0.43) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL28732551 0.75 LMNA (0.52) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL29463392 0.75 LMNA (0.52) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL30492152 0.75 NT5E (0.66) LMNASMN1; SMN2POLBHTTNCOA1
SCHEMBL1536650 0.75 NT5E (0.66) LMNASMN1; SMN2POLBHTTNCOA1

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-2009003164-A1 COMPOSITIONS COMPRISING INDOLEAMINE 2,3- DIOXYGENASE-2 AND COENZYME Q INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH DEVELOPMENT, INC. (US) 2008-12-31 WO disclosed