SCHEMBL6173367

SCHEMBL6173367

COc1ccc(OC(=O)Nc2c(C#N)cnn2C)c2sc(N3CCN(C)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
TP53 P04637 4/20 0.48
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
HMOX1 P09601 1/20 0.41
HMOX2 P30519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GPX4 P36969 3/20 0.37

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
SCHEMBL6170768 0.93 TP53 (0.54) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6170577 0.92 TP53 (0.45) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6171990 0.82 ALDH1A1 (0.40) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6612626 0.75 ADORA2A (0.38) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL7470525 0.73 ADORA2A (0.39) MAPTTP53ALOX15HSD17B10LMNA
SCHEMBL6171107 0.71 ALDH1A1 (0.41) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6172259 0.70 TP53 (0.60) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6170859 0.70 ALDH1A1 (0.41) MAPTTP53ALDH1A1HPGDTSHR
SCHEMBL6613258 0.68 LMNA (0.36) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6611296 0.67 LMNA (0.35) MAPTTP53ALDH1A1HPGDTSHR

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
EP-1263757-B1 BENZTHIAZOLES AS TNF AND PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2005-07-27 EP claimed