SCHEMBL7473728

SCHEMBL7473728

C=CCNC(=O)CSc1nnc(NC(=O)Nc2cccc(C#N)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.57
TP53 P04637 6/20 0.57
BLM P54132 1/20 0.52
LMNA P02545 4/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7482056 0.87 BLM (0.58) MAPTTP53BLMLMNANPC1
SCHEMBL7483748 0.84 BLM (0.63) MAPTTP53BLMLMNANPC1
SCHEMBL7477767 0.83 TP53 (0.52) MAPTTP53BLMLMNANPC1
SCHEMBL7478654 0.81 BLM (0.61) MAPTTP53BLMLMNANPC1
SCHEMBL7481487 0.80 BLM (0.59) MAPTTP53BLMLMNANPC1
SCHEMBL7426821 0.79 BLM (0.53) MAPTTP53BLMLMNANPC1
SCHEMBL7489229 0.77 BLM (0.55) MAPTTP53BLMLMNANPC1
SCHEMBL7487336 0.77 MAPT (0.60) MAPTTP53BLMLMNANPC1
SCHEMBL7475135 0.76 BLM (0.62) MAPTTP53BLMLMNANPC1
SCHEMBL7489135 0.76 BLM (0.52) MAPTTP53BLMLMNANPC1

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-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO claimed