SCHEMBL7427489

SCHEMBL7427489

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
NTRK1 P04629 4/20 0.57
NTRK2 Q16620 4/20 0.57
CCNC P24863 1/20 0.57
CDK8 P49336 1/20 0.57
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
MITF O75030 1/20 0.53
XBP1 P17861 1/20 0.53
HTT P42858 1/20 0.53
PAX8 Q06710 1/20 0.53
NOD2 Q9HC29 1/20 0.53
PTPN1 P18031 2/20 0.53
GAA P10253 2/20 0.52
RAB9A P51151 3/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL7426341 0.92 MEN1 (0.59) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7428903 0.84 NPC1 (0.61) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7477611 0.84 KMT2A (0.61) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL7429049 0.83 NTRK1 (0.62) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7479841 0.83 NTRK1 (0.60) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7479019 0.82 RAB9A (0.61) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL3467864 0.81 MEN1 (0.59) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7429393 0.80 RAB9A (0.59) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7426870 0.78 NTRK1 (0.64) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL7423143 0.78 MEN1 (0.62) MEN1KMT2ANPC1MAPTSMN1; 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 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