SCHEMBL2320110

SCHEMBL2320110

Cc1ccc(-c2cccc(C=O)n2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
HSD11B1 P28845 1/20 0.47
ERN1 O75460 1/20 0.44
HSD17B14 Q9BPX1 5/20 0.41
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
TERT O14746 3/20 0.37
NISCH Q9Y2I1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
CTSA P10619 1/20 0.35
GRIN2B Q13224 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
CNR2 P34972 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL2325020 0.88 HSD17B14 (0.44) KMOHSD11B1HSD17B14HSD17B1HSD17B2
SCHEMBL5981646 0.86 NPC1 (0.44) ERN1HSD17B14HSD17B1HSD17B2TERT
SCHEMBL18002037 0.86 TERT (0.49) KMOHSD17B14HSD17B1HSD17B2TERT
SCHEMBL10268449 0.79 CCR1 (0.52) KMOHSD11B1HSD17B14HSD17B1HSD17B2
SCHEMBL12539129 0.79 HSD17B14 (0.51) KMOHSD17B14TERTCTSACNR2
SCHEMBL28079062 0.78 TERT (0.48) KMOTERT
SCHEMBL30598255 0.77 TERT (0.49) HSD17B14TERT
SCHEMBL2321964 0.77 SMN1; SMN2 (0.41) HSD11B1TERT
SCHEMBL1914634 0.77 TERT (0.49) HSD17B14TERT
SCHEMBL12537901 0.77 KMO (0.50) KMOTERTCNR2

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed