SCHEMBL12273673

SCHEMBL12273673

Nc1ccccc1-c1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.67
MAPK1 P28482 4/20 0.67
HSD17B10 Q99714 3/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 3/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
MCL1 Q07820 1/20 0.51
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADORA3 P0DMS8 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
IDO1 P14902 3/20 0.45
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL12806748 0.80 ALOX15 (1.00) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL239535 0.75 MAPK1 (0.62) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL19319842 0.74 ALOX15 (0.68) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL10099699 0.74 KDM4E (1.00) ALOX15HSD17B10KDM4ENPC1GAA
SCHEMBL28474142 0.73 ALOX15 (0.57) ALOX15MAPK1HSD17B10TP53MCL1
SCHEMBL18279960 0.72 ALOX15 (0.56) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL29696887 0.71 ALOX15 (0.55) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL4302091 0.71 ALOX15 (0.55) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL15473257 0.71 ALOX15 (0.55) ALOX15MAPK1HSD17B10TP53KDM4E
SCHEMBL12968466 0.70 ALOX15 (0.53) ALOX15MAPK1HSD17B10TP53MCL1

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
US-20120239140-A1 MEDICAL PRODUCT COMPRISING AN ACTIVE COATING BIOTRONIK AG (CH) 2012-09-20 US disclosed