SCHEMBL11239183

SCHEMBL11239183

CC(C)c1nc(Cl)c(Cl)cc1-c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.36
GSK3B P49841 2/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
RHEB Q15382 2/20 0.34
MAPK1 P28482 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
MAPK14 Q16539 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK10 P53779 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
BRAF P15056 1/20 0.33
HTT P42858 1/20 0.33
NFATC1 O95644 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
SCHEMBL7278230 0.84 PIK3R1 (0.36) GCGRGSK3BRAB9ANPC1MAPK1
SCHEMBL11232696 0.80 CYP2C19 (0.50) GSK3BAAK1HTT
SCHEMBL11233810 0.78 PDE7A (0.43) RAB9ANPC1MAPT
SCHEMBL11155642 0.78 CASP1 (0.51) MAPT
SCHEMBL7278990 0.77 PDE3B (0.47) RAB9ANPC1RHEBMAPK1DUSP3
SCHEMBL11233222 0.76 GSK3B (0.40) GSK3BRAB9ANPC1MAPK1AKT1
SCHEMBL11172843 0.76 RAB9A (0.37) GCGRGSK3BRAB9ANPC1MAPK1
SCHEMBL11254135 0.73 KIF11 (0.39) GCGRRAB9ANPC1RHEBMAPK1
SCHEMBL7278975 0.73 PDE3B (0.49) GSK3BRAB9ANPC1RHEBMAPK1
SCHEMBL11389347 0.73 CASP1 (0.58) GCGRGSK3BMAPK1MAPK14

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
US-4351941-A Pyridinyl-pyridines STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4331672-A 5-(Pyridinyl)pyridine-2-hydrazines, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed