SCHEMBL7482437

SCHEMBL7482437

CCC(Sc1nnc(NC(=O)Nc2cccc(C(=O)O)c2)s1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 1/20 0.50
TP53 P04637 4/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASR P41180 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL7478240 0.90 MAPT (0.51) MAPTNPC1RAB9ATP53MEN1
SCHEMBL7482445 0.88 MAPT (0.63) MAPTNPC1RAB9ATP53LMNA
SCHEMBL7474057 0.81 MAPT (0.61) MAPTNPC1RAB9ATP53LMNA
SCHEMBL7477984 0.81 MAPT (0.56) MAPTNPC1RAB9ATP53LMNA
SCHEMBL7476548 0.79 MAPT (0.54) MAPTNPC1RAB9ATP53LMNA
SCHEMBL7478572 0.77 MAPT (0.57) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7480839 0.74 GLS (0.55) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7476148 0.73 MAPT (0.61) MAPTNPC1RAB9ATP53LMNA
SCHEMBL7479785 0.73 POLB (0.48) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL7425975 0.72 NTRK1 (0.52) MAPTNPC1RAB9AALDH1A1TP53

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