SCHEMBL7476548

SCHEMBL7476548

CCC(Sc1nnc(NC(=O)Nc2cccc(F)c2)s1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 1/20 0.46
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
ITGB3 P05106 4/20 0.45
ITGAV P06756 4/20 0.45
ITGA2B P08514 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PAX8 Q06710 1/20 0.45
NLRP3 Q96P20 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL7477984 0.90 MAPT (0.56) MAPTTP53TAAR1NPC1RAB9A
SCHEMBL7482445 0.90 MAPT (0.63) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7478572 0.83 MAPT (0.57) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7474057 0.83 MAPT (0.61) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7481216 0.83 NPC1 (0.54) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7482916 0.81 KMT2A (0.51) NPC1RAB9ALMNAITGB3ITGAV
SCHEMBL7481013 0.79 MAPT (0.63) MAPTTP53TAAR1NPC1RAB9A
SCHEMBL7482437 0.79 MAPT (0.53) MAPTTP53NPC1RAB9ALMNA
SCHEMBL7477666 0.78 GLS (0.52) MAPTNPC1RAB9AITGB3ITGAV
SCHEMBL7480875 0.77 MAPT (0.58) MAPTTP53NPC1RAB9ALMNA

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