SCHEMBL9718529

SCHEMBL9718529

CCC/C=C/C1CCC(c2cnc(-c3ccc(Cl)c(Cl)c3)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR1 P21453 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAP3K14 Q99558 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKCG P05129 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31

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
SCHEMBL9312602 1.00 MAPK10 (0.33) MAPK10S1PR3S1PR1SLC6A3NPC1
SCHEMBL9312596 1.00 MAPK10 (0.33) MAPK10S1PR3S1PR1SLC6A3NPC1
SCHEMBL8381988 0.91 S1PR3 (0.34) MAPK10S1PR3S1PR1SLC6A3NPC1
SCHEMBL9312443 0.91 S1PR3 (0.34) MAPK10S1PR3S1PR1SLC6A3NPC1
SCHEMBL8381946 0.90 CHRNB1 (0.34) S1PR3S1PR1NPC1RAB9ACYP11B1
SCHEMBL9718521 0.90 CYP11B1 (0.35) CYP11B1CYP11B2RXRAGRIN1GRIN2B
SCHEMBL8381945 0.90 CHRNB1 (0.34) S1PR3S1PR1NPC1RAB9ACYP11B1
SCHEMBL9313403 0.90 CYP11B1 (0.35) CYP11B1CYP11B2RXRAGRIN1GRIN2B
SCHEMBL9313058 0.90 CHRNB1 (0.34) S1PR3S1PR1NPC1RAB9ACYP11B1
SCHEMBL9313402 0.90 CYP11B1 (0.35) CYP11B1CYP11B2RXRAGRIN1GRIN2B

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
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed