SCHEMBL4049111

SCHEMBL4049111

CCNC(=S)Nc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
KMT2A Q03164 4/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL10685516 0.80 PPID (0.63) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL7428442 0.80 LMNA (0.56) ALDH1A1KMT2AHPGDMAPTLMNA
SCHEMBL14450265 0.79 MAPT (0.60) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL11458148 0.79 MAPT (0.67) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL68851 0.78 CYP4Z1 (0.62) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL2636023 0.77 MAPT (0.60) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL10686887 0.77 MAPT (0.58) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL5153509 0.77 USP2 (0.61) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL10682388 0.77 TP53 (0.58) ALDH1A1KMT2AHPGDMAPTLMNA
SCHEMBL31225554 0.77 PPID (0.59) ALDH1A1KMT2AMAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed