SCHEMBL6170768

SCHEMBL6170768

COc1ccc(OC(=O)Nc2c(C#N)cnn2C)c2sc(N3CCCCC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 7/20 0.46
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HMOX1 P09601 1/20 0.39
HMOX2 P30519 1/20 0.39
ADORA2A P29274 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA1 P30542 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
SCHEMBL6173367 0.93 MAPT (0.48) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6170577 0.92 TP53 (0.45) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6171990 0.82 ALDH1A1 (0.40) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6612626 0.75 ADORA2A (0.38) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6611296 0.74 LMNA (0.35) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL7470525 0.73 ADORA2A (0.39) TP53MAPTALOX15HSD17B10LMNA
SCHEMBL6613258 0.71 LMNA (0.36) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6171107 0.71 ALDH1A1 (0.41) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6170859 0.70 ALDH1A1 (0.41) TP53ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL6171031 0.69 ALDH1A1 (0.74) TP53ALDH1A1HPGDTSHRSMN1; SMN2

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