SCHEMBL1717575

SCHEMBL1717575

CCCOc1ccc(OC)c(-c2csc(N(CCN3CCC[C@H]3CO)C(=O)c3ccc(C(N)=O)cc3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
KMT2A Q03164 8/20 0.39
RAD52 P43351 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
APEX1 P27695 1/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1717643 0.78 MAPT (0.57) KDM4EHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL1717639 0.78 MAPT (0.57) KDM4EHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL2991068 0.77 MAPT (0.53) KDM4EHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL2991064 0.77 MAPT (0.53) KDM4EHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL1717314 0.76 DRD2 (0.43) L3MBTL1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL3595260 0.69 L3MBTL1 (0.50) L3MBTL1TSHRKDM4ESMN1; SMN2MAPK1
SCHEMBL2827744 0.69 TSHR (0.57) L3MBTL1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL2826515 0.69 TSHR (0.57) L3MBTL1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL2826671 0.69 TSHR (0.57) L3MBTL1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL2833094 0.67 TSHR (0.57) L3MBTL1TSHRKDM4EHPGDSMN1; SMN2

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 3 patents. 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 disclosed
EP-1656373-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINEANTAGONISTS Sanofi-Aventis (FR) 2006-05-17 EP disclosed
WO-2004096798-A2 DERIVATIVES OF 2-ACYLAMINO-4-PHENYLTHIAZOLE, PREPARATION METHOD THEREOF AND USE OF SAME AS CHEMOKINE ANTAGONISTS SANOFI-AVENTIS (FR) 2004-11-11 WO disclosed