SCHEMBL5046059

SCHEMBL5046059

CCCCNC(=O)Oc1cc(-c2csc(-c3ccc(OC)cc3)n2)n(Cc2ccc(Cl)c(Cl)c2)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 9/20 0.46
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SCD O00767 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KLKB1 P03952 1/20 0.39
MGLL Q99685 1/20 0.39
THRB P10828 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
CCR2 P41597 1/20 0.38

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
SCHEMBL5039689 0.95 MAPT (0.43) EIF4ETP53MAPTCYP3A4CYP2C9
SCHEMBL5044045 0.93 THRB (0.45) EIF4ETP53MAPTCYP3A4CYP2C9
SCHEMBL5048718 0.91 EIF4E (0.41) EIF4ETP53MAPTCYP3A4CYP2C9
SCHEMBL5046039 0.91 CYP3A4 (0.41) TP53MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5049186 0.91 NPC1 (0.41) EIF4ETP53MAPTCYP3A4CYP2C9
SCHEMBL5043940 0.88 EIF4E (0.50) EIF4ETP53MAPTSCDKLKB1
SCHEMBL5046060 0.83 KLKB1 (0.43) EIF4ETP53MAPTKLKB1THRB
SCHEMBL5048696 0.82 CDC25A (0.43) TP53MAPTKLKB1MGLLATP4A
SCHEMBL5046032 0.82 KLKB1 (0.53) EIF4ETP53MAPTKLKB1ATP4A
SCHEMBL5048635 0.81 MAPT (0.50) EIF4ETP53MAPTKLKB1THRB

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed