Sugi Predict

Sugi Predict / Compounds / SCHEMBL4039698

SCHEMBL4039698

SCHEMBL4039698

CCC(CCc1sc2c(c1C#N)CCC(N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl)C2)CNC(=O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 5/20 0.47
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ UBA2 Q9UBT2 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTGER4 P35408 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
SCHEMBL4040885 0.92 GCGR (0.50) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4042167 0.91 GCGR (0.49) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4044047 0.91 GCGR (0.51) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4044279 0.90 GCGR (0.47) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4042323 0.90 GCGR (0.50) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4039156 0.90 GCGR (0.47) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4037348 0.89 GCGR (0.60) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4043997 0.89 GCGR (0.49) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4039828 0.89 GCGR (0.46) GCGRTP53MAPTNPSR1SAE1
SCHEMBL4041844 0.88 GCGR (0.46) GCGRTP53MAPTNPSR1SAE1

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-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 — — EP claimed