SCHEMBL7487336

SCHEMBL7487336

CCCCCCCCSc1nnc(NC(=O)Nc2cccc(C#N)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
BLM P54132 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
TP53 P04637 3/20 0.48
ALDH1A1 P00352 2/20 0.46
NSD2 O96028 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NTRK1 P04629 1/20 0.44
NTRK2 Q16620 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7489229 0.90 BLM (0.55) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7477767 0.87 TP53 (0.52) MAPTNPC1RAB9ABLMTP53
SCHEMBL7478654 0.84 BLM (0.61) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7481487 0.82 BLM (0.59) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7482056 0.81 BLM (0.58) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7475135 0.81 BLM (0.62) MAPTNPC1RAB9ABLMMEN1
SCHEMBL8565680 0.80 MAPT (0.60) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7476849 0.80 BLM (0.52) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7426821 0.79 BLM (0.53) MAPTNPC1RAB9ABLMMEN1
SCHEMBL7475132 0.78 BLM (0.59) MAPTNPC1RAB9ABLMMEN1

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