SCHEMBL8774468

SCHEMBL8774468

CCCCc1ccc(C#Cc2cc(F)c(F)nc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.40
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPRO Q16827 1/20 0.35
CTRC Q99895 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTAFR P25105 1/20 0.34
MAPT P10636 1/20 0.33
EIF4A1 P60842 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
SCHEMBL8774475 0.96 FFAR1 (0.40) FFAR1EGLN1EGLN3PTPN11PTPRO
SCHEMBL8774969 0.92 FFAR1 (0.42) FFAR1EGLN1EGLN3HSD17B10
SCHEMBL8774821 0.88 FFAR1 (0.43) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8774403 0.87 FFAR1 (0.38) FFAR1EGLN1EGLN3
SCHEMBL8774912 0.85 TSHR (0.43) FFAR1PTPN11PTPROCTRCTSHR
SCHEMBL8774374 0.84 FFAR1 (0.42) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8774302 0.83 HSD17B10 (0.43) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8979018 0.82 HSD17B10 (0.41) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8774909 0.81 HSD17B10 (0.48) FFAR1TSHRHSD17B10MAPT
SCHEMBL8774295 0.80 FFAR1 (0.44) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed