SCHEMBL11113555

SCHEMBL11113555

C#CCOc1nc2cc(Cl)cc(Cl)c2s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOB P27338 3/20 0.33
AGPAT2 O15120 1/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL11113691 0.77 LOXL2 (0.48) PTGS1PTGS2MAOBAGPAT2HPGD
SCHEMBL11117595 0.73 PTGS1 (0.47) PGK1PTGS1PTGS2AGPAT2HPGD
SCHEMBL3805546 0.68 HTT (0.45) PGK1POLBMAPK1HSD17B10MAOB
SCHEMBL11112461 0.68 PGK1 (0.37) PGK1POLBMAPK1HSD17B10MAOB
SCHEMBL18475729 0.67 AGPAT2 (0.31) PGK1AGPAT2
SCHEMBL19048795 0.67 PGK1 (0.33) PGK1AGPAT2
SCHEMBL18791381 0.67 ALDH1A1 (0.36) HSD17B10HPGDTSHRAKR1B1
SCHEMBL7074465 0.66 PTGS1 (0.54) PTGS1PTGS2MAPK1HSD17B10MAOB
SCHEMBL17609927 0.65 ALDH1A1 (0.52) TSHRAKR1B1LMNA
SCHEMBL11594887 0.65 SMN1; SMN2 (0.42) POLBHSD17B10HPGDAKR1B1

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
EP-0044008-B1 USE OF 2-PROPARGYLOXY-BENZAZOLES AS SYNERGISTS BAYER AG (DE) 1984-12-05 EP disclosed
EP-0044008-A1 Use of 2-propargyloxy-benzazoles as synergists BAYER AG (DE) 1982-01-20 EP disclosed