SCHEMBL7429393

SCHEMBL7429393

CC(C)COC(=O)c1cccc(CSc2nnc(NC(=O)Nc3cccc(F)c3)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
ABL1 P00519 5/20 0.54
SRC P12931 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NTRK1 P04629 1/20 0.51
NTRK2 Q16620 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PTPN1 P18031 1/20 0.45

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
SCHEMBL7429153 0.88 MEN1 (0.49) RAB9AMAPTABL1SRCNPC1
SCHEMBL7479019 0.86 RAB9A (0.61) RAB9AMAPTTP53ABL1SRC
SCHEMBL7427489 0.80 MEN1 (0.58) RAB9AMAPTTP53ABL1SRC
SCHEMBL7476339 0.78 MAPT (0.67) RAB9AMAPTTP53ABL1SRC
SCHEMBL7481013 0.78 MAPT (0.63) RAB9AMAPTTP53ABL1SRC
SCHEMBL7477611 0.77 KMT2A (0.61) RAB9AMAPTABL1SRCNPC1
SCHEMBL7480423 0.76 MAPT (0.66) RAB9AMAPTTP53ABL1SRC
SCHEMBL7426341 0.76 MEN1 (0.59) RAB9AMAPTTP53ABL1SRC
SCHEMBL7475712 0.74 MEN1 (0.50) RAB9AMAPTTP53ABL1SRC
SCHEMBL7478376 0.73 MAPT (0.65) RAB9AMAPTTP53ABL1SRC

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 claimed