SCHEMBL7426341

SCHEMBL7426341

COC(=O)c1cccc(CSc2nnc(NC(=O)Nc3ccc(C(F)(F)F)cc3)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NPC1 O15118 2/20 0.59
PTPN1 P18031 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
ABL1 P00519 4/20 0.51
SRC P12931 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
NTRK1 P04629 4/20 0.48
NTRK2 Q16620 4/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.47
HIF1A Q16665 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
SCHEMBL7427489 0.92 MEN1 (0.58) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7428903 0.85 NPC1 (0.61) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7477611 0.81 KMT2A (0.61) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7479019 0.79 RAB9A (0.61) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7423143 0.79 MEN1 (0.62) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL3467864 0.78 MEN1 (0.59) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7429049 0.77 NTRK1 (0.62) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7429393 0.76 RAB9A (0.59) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7475712 0.75 MEN1 (0.50) MEN1KMT2ANPC1PTPN1LMNA
SCHEMBL7479841 0.75 NTRK1 (0.60) MEN1KMT2ANPC1PTPN1LMNA

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