SCHEMBL8774593

SCHEMBL8774593

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.41
MCHR1 Q99705 1/20 0.39
CTRC Q99895 1/20 0.38
PTAFR P25105 1/20 0.38
NFKB1 P19838 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8774237 0.96 HSD17B10 (0.42) FFAR1MCHR1L3MBTL1NPC1RAB9A
SCHEMBL8774695 0.91 FFAR1 (0.43) FFAR1MCHR1TDP1ALDH1A1ACACB
SCHEMBL8774556 0.85 EGLN1 (0.47) FFAR1L3MBTL1TDP1ALDH1A1LMNA
SCHEMBL8774397 0.84 NPC1 (0.47) MCHR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL8774773 0.82 ALDH1A1 (0.50) MCHR1L3MBTL1NPC1MAPK1RAB9A
SCHEMBL9159057 0.81 FFAR1 (0.61) FFAR1MCHR1NFKB1L3MBTL1TSHR
SCHEMBL8774663 0.80 SMN1; SMN2 (0.45) CTRCNFKB1L3MBTL1NPC1MAPK1
SCHEMBL9472946 0.80 KCNH2 (0.51) MCHR1CTRCSMN1; SMN2TSHRHSD17B10
SCHEMBL8774503 0.79 SPHK1 (0.42) FFAR1
SCHEMBL8774497 0.78 ACACB (0.43) MCHR1NFKB1L3MBTL1NPC1RAB9A

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