SCHEMBL8774677

SCHEMBL8774677

CCCCc1ccc(C#Cc2cnc(F)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
PTPN11 Q06124 1/20 0.38
PTPRO Q16827 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL8774460 0.96 HSD17B10 (0.43) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8774719 0.94 HSD17B10 (0.44) FFAR1PTPN11PTPROTSHRHSD17B10
SCHEMBL8775133 0.92 HSD17B10 (0.49) FFAR1TSHRHSD17B10KDM4EMEN1
SCHEMBL8774897 0.91 FFAR1 (0.45) FFAR1HSD17B10PKMACACBEGLN1
SCHEMBL8774819 0.87 FFAR1 (0.43) FFAR1TSHRHSD17B10MAPTPKM
SCHEMBL8774154 0.85 EGLN1 (0.47) FFAR1ACACBEGLN1
SCHEMBL8774634 0.84 KDM4E (0.43) HSD17B10KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL8774700 0.82 KDM4E (0.47) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL8774517 0.81 EGLN1 (0.44) FFAR1ACACBEGLN1
SCHEMBL9158558 0.81 GRM5 (0.46) FFAR1PTPN11PTPROTSHRHSD17B10

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