SCHEMBL12475117

SCHEMBL12475117

C=C1SC(=S)N(C(C(=O)O)c2ccccc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 4/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
POLB P06746 5/20 0.55
GAA P10253 2/20 0.55
GFER P55789 2/20 0.55
PSMD14 O00487 1/20 0.55
NSD2 O96028 1/20 0.55
ALPL P05186 1/20 0.55
MMP2 P08253 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
RECQL P46063 2/20 0.49

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
SCHEMBL20005701 0.79 MAPT (0.55) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL2780507 0.72 MAPT (1.00) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL3639267 0.72 MAPT (1.00) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL13657865 0.72 MAPT (1.00) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL7149412 0.72 KMT2A (0.56) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL6694241 0.71 ALDH1A1 (0.57) MAPTALDH1A1MAPK1KMT2APOLB
SCHEMBL6690737 0.71 ALDH1A1 (0.57) MAPTALDH1A1MAPK1KMT2APOLB
SCHEMBL5866035 0.71 ALDH1A1 (0.57) MAPTALDH1A1MAPK1KMT2APOLB
SCHEMBL12821631 0.69 MAPT (0.62) MAPTALDH1A1MAPK1SAE1UBA2
SCHEMBL10625900 0.69 MEN1 (0.59) MAPTALDH1A1MAPK1SAE1UBA2

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
WO-2012109220-A2 CELL CYCLE CONTROL FOR IMPROVING PROCESS PERFORMANCE AND RECOMBINANT EXPRESSION IN FUNGAL HOST CELLS MERCK SHARP & DOHME CORP. (US) 2012-08-16 WO disclosed