SCHEMBL1717314

SCHEMBL1717314

CCCCc1ccc(OC)c(-c2csc(N(C[C@@H]3CCCN3CC)C(=O)c3ccc(C(N)=O)cc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
APEX1 P27695 1/20 0.37
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
UCHL1 P09936 1/20 0.35

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
SCHEMBL1717575 0.76 L3MBTL1 (0.43) L3MBTL1NPSR1TSHRMAPK1ATM
SCHEMBL2984590 0.76 DRD2 (0.56) DRD2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL1717072 0.76 DRD2 (0.56) DRD2NPSR1ALDH1A1MEN1KMT2A
SCHEMBL3602404 0.71 KMT2A (0.45) L3MBTL1TSHRMAPK1ATMALDH1A1
SCHEMBL2958088 0.67 KMT2A (0.47) L3MBTL1TSHRMAPK1ATMALDH1A1
SCHEMBL1415653 0.67 ALDH1A1 (0.60) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL2986632 0.66 MAPT (0.45) NPSR1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL2986629 0.66 MAPT (0.45) NPSR1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL1717563 0.66 MAPT (0.48) L3MBTL1NPSR1MAPK1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL4501141 0.66 KMT2A (0.46) L3MBTL1TSHRMAPK1ATMALDH1A1

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-1656373-B1 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS SANOFI SA (FR) 2012-01-18 EP claimed