SCHEMBL7483095

SCHEMBL7483095

O=C(Nc1cccc(F)c1)Nc1nnc(SCc2ccccn2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
TP53 P04637 1/20 0.67
KMT2A Q03164 4/20 0.60
NTRK1 P04629 2/20 0.60
NTRK2 Q16620 2/20 0.60
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
HSP90AA1 P07900 1/20 0.53
OPRK1 P41145 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.53
ABL1 P00519 2/20 0.51
SRC P12931 2/20 0.51

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
SCHEMBL7426870 0.87 NTRK1 (0.64) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7476339 0.84 MAPT (0.67) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7477859 0.83 MAPT (0.64) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7481013 0.81 MAPT (0.63) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7480423 0.79 MAPT (0.66) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7478008 0.79 MAPT (0.63) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7478376 0.78 MAPT (0.65) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7478572 0.78 MAPT (0.57) MAPTTP53KMT2ANTRK1NTRK2
SCHEMBL7479597 0.76 GLS (0.55) MAPTTP53KMT2ARAB9ANPC1
SCHEMBL7482445 0.75 MAPT (0.63) MAPTTP53KMT2ANTRK1NTRK2

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 disclosed