SCHEMBL7426870

SCHEMBL7426870

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.64
NTRK2 Q16620 4/20 0.64
CCNC P24863 1/20 0.63
CDK8 P49336 1/20 0.63
MAPT P10636 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
PAX8 Q06710 1/20 0.54
NOD2 Q9HC29 1/20 0.54
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 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
SCHEMBL7483095 0.87 MAPT (0.67) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7429049 0.85 NTRK1 (0.62) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL7479789 0.84 NTRK1 (0.67) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL5439899 0.83 MAPT (0.61) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL7479841 0.82 NTRK1 (0.60) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL7427489 0.78 MEN1 (0.58) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL11618321 0.77 SMN1; SMN2 (0.76) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3467864 0.77 MEN1 (0.59) NTRK1NTRK2CCNCCDK8MAPT
SCHEMBL11865005 0.75 MAPT (0.63) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7479597 0.73 GLS (0.55) MAPTMEN1KMT2AHTTSMN1; SMN2

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