SCHEMBL5534178

SCHEMBL5534178

CCn1c(SC)nc(C(=O)O)c(OCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL16536265 0.80 LIPG (0.44) TSHRLMNAMEN1KMT2ARXFP1
SCHEMBL16536263 0.80 LIPG (0.44) TSHRLMNAMEN1KMT2ARXFP1
SCHEMBL5532745 0.80 MCL1 (0.35) TSHRATMSMN1; SMN2MAPK1KMT2A
SCHEMBL5532809 0.78 CYP1A2 (0.42) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL5538661 0.78 ALDH1A1 (0.44) SMN1; SMN2LMNAMEN1KMT2ARXFP1
SCHEMBL5526219 0.78 ADORA1 (0.34) TSHRATMSMN1; SMN2MAPK1RXFP1
SCHEMBL5534568 0.78 TSHR (0.36) TSHRATMSMN1; SMN2LMNAMAPK1
SCHEMBL5643042 0.77 LMNA (0.42) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL2512337 0.76 HPGD (0.47) SMN1; SMN2MEN1KMT2ARXFP1MAPT
SCHEMBL15455917 0.76 HPGD (0.49) TSHRLMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844643-A1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2015-03-11 EP disclosed
WO-2013151877-A1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-10 WO disclosed
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed