SCHEMBL7425975

SCHEMBL7425975

O=C(Nc1cccc(C(=O)O)c1)Nc1nnc(SCc2ccc3ccccc3n2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.52
NTRK2 Q16620 12/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
HCRTR1 O43613 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7477859 0.88 MAPT (0.64) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7477058 0.88 NTRK1 (0.66) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7478543 0.88 NPC1 (0.52) NTRK1NTRK2MAPTNPC1RAB9A
SCHEMBL7489135 0.85 BLM (0.52) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7479789 0.85 NTRK1 (0.67) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7483515 0.75 NPC1 (0.52) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7482437 0.72 MAPT (0.53) MAPTMEN1KMT2ATP53NPC1
SCHEMBL7426861 0.72 MAPT (0.47) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7483095 0.71 MAPT (0.67) NTRK1NTRK2MAPTMEN1KMT2A
SCHEMBL7426870 0.69 NTRK1 (0.64) NTRK1NTRK2MAPTMEN1KMT2A

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