SCHEMBL1043735

SCHEMBL1043735

O=C(O)c1csc(C2CCN(C(=O)COc3ccccc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 3/20 0.52
CPT1A P50416 5/20 0.52
CPT2 P23786 4/20 0.52
CPT1B Q92523 2/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL6527795 0.89 CPT1A (0.50) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL1045532 0.84 CPT1A (0.47) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL6523509 0.84 CPT1A (0.50) MAPTCPT1ACPT2CPT1BLMNA
SCHEMBL1044681 0.84 ALDH1A1 (0.49) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL1044683 0.84 CPT1A (0.46) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL6521137 0.82 MAPT (0.45) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL28020746 0.81 CPT1A (0.44) MEN1KMT2AMAPTCPT1ACPT2
SCHEMBL13422230 0.81 PTGER2 (0.42) MAPTCPT1ACPT2CPT1BLMNA
SCHEMBL13162592 0.80 EPHX2 (0.39) MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL13421200 0.79 CPT1A (0.46) MEN1KMT2AMAPTCPT1ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP claimed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO claimed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO claimed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP disclosed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO disclosed