SCHEMBL4042394

SCHEMBL4042394

CCC(CCc1sc2c(c1C#N)CCN(C(=O)C1(c3ccc(Cl)cc3Cl)CC1)C2)CNC(=O)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.36
MAPK10 P53779 2/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 7/20 0.33
ALDH1A1 P00352 6/20 0.33
MAPK9 P45984 1/20 0.33
TP53 P04637 2/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
UGCG Q16739 1/20 0.32
KDM4E B2RXH2 3/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL4043069 0.77 GCGR (0.43) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL4037348 0.76 GCGR (0.60) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL6315675 0.75 NPC1 (0.35) MAPK10MEN1KMT2AMAPTALDH1A1
SCHEMBL4039270 0.75 GCGR (0.54) GRM1MAPK10MEN1KMT2AMAPT
SCHEMBL4044047 0.74 GCGR (0.51) MAPTALDH1A1TP53NPSR1
SCHEMBL4042167 0.74 GCGR (0.49) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL4042323 0.73 GCGR (0.50) MAPTALDH1A1TP53NPSR1
SCHEMBL4043997 0.72 GCGR (0.49) MAPTALDH1A1TP53NPSR1
SCHEMBL4044279 0.72 GCGR (0.47) MAPTALDH1A1TP53NPSR1
SCHEMBL4039828 0.72 GCGR (0.46) MAPTALDH1A1TP53SMN1; SMN2NPSR1

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