SCHEMBL7480423

SCHEMBL7480423

O=C(Nc1cccc(F)c1)Nc1nnc(SCc2ccoc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
TP53 P04637 2/20 0.66
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
ABL1 P00519 3/20 0.55
SRC P12931 3/20 0.55
NTRK1 P04629 1/20 0.55
NTRK2 Q16620 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
HTT P42858 2/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7476339 0.85 MAPT (0.67) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7481013 0.82 MAPT (0.63) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7478376 0.79 MAPT (0.65) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7483095 0.79 MAPT (0.67) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7479019 0.77 RAB9A (0.61) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7477859 0.77 MAPT (0.64) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7421558 0.77 MAPT (0.56) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7478008 0.76 MAPT (0.63) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7429393 0.76 RAB9A (0.59) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL3467894 0.73 MEN1 (0.62) MAPTRAB9ASMN1; SMN2ABL1SRC

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