SCHEMBL7480640

SCHEMBL7480640

O=C(NCCc1ccccc1)Nc1nnc(SCc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
ABCC8 Q09428 5/20 0.56
KCNJ11 Q14654 5/20 0.56
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
ABL1 P00519 3/20 0.54
SRC P12931 3/20 0.54
PTPN1 P18031 1/20 0.52
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 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
SCHEMBL7483795 0.94 MEN1 (0.65) MEN1KMT2AGAALMNAMAPT
SCHEMBL7483978 0.88 ABL1 (0.62) MEN1KMT2AGAALMNAMAPT
SCHEMBL7488953 0.85 KMT2A (0.57) MEN1KMT2AGAALMNAMAPT
SCHEMBL7484054 0.83 LMNA (0.61) MEN1KMT2AGAALMNAMAPT
SCHEMBL7479597 0.83 GLS (0.55) MEN1KMT2AGAALMNAMAPT
SCHEMBL7423143 0.81 MEN1 (0.62) MEN1KMT2AGAALMNAMAPT
SCHEMBL7483438 0.80 RAB9A (0.54) MEN1KMT2AGAALMNAMAPT
SCHEMBL7483430 0.77 RAB9A (0.51) MEN1KMT2AGAALMNAMAPT
SCHEMBL28451175 0.77 ABL1 (0.67) MEN1KMT2AGAALMNAMAPT
SCHEMBL3612969 0.76 SMN1; SMN2 (0.76) MEN1KMT2AGAALMNAMAPT

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