SCHEMBL7489229

SCHEMBL7489229

N#CCCCCCSc1nnc(NC(=O)Nc2cccc(C#N)c2)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.55
MAPT P10636 14/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 3/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
NSD2 O96028 1/20 0.45
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.42

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
SCHEMBL7487336 0.90 MAPT (0.60) BLMMAPTNPC1RAB9ATP53
SCHEMBL7478654 0.86 BLM (0.61) BLMMAPTNPC1RAB9ATP53
SCHEMBL7481487 0.82 BLM (0.59) BLMMAPTNPC1RAB9ATP53
SCHEMBL7482056 0.81 BLM (0.58) BLMMAPTNPC1RAB9ATP53
SCHEMBL7476849 0.80 BLM (0.52) BLMMAPTNPC1RAB9ATP53
SCHEMBL7475135 0.79 BLM (0.62) BLMMAPTNPC1RAB9ATP53
SCHEMBL7477767 0.78 TP53 (0.52) BLMMAPTNPC1RAB9ATP53
SCHEMBL7426821 0.77 BLM (0.53) BLMMAPTNPC1RAB9ATP53
SCHEMBL7487945 0.77 BLM (0.61) BLMMAPTNPC1RAB9ATP53
SCHEMBL7473728 0.77 MAPT (0.57) BLMMAPTNPC1RAB9ATP53

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