SCHEMBL7488953

SCHEMBL7488953

O=C(NCCc1ccccc1)Nc1nnc(SCc2cccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
POLB P06746 5/20 0.57
MEN1 O00255 4/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.52
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.51
ABL1 P00519 3/20 0.50
SRC P12931 3/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
NPC1 O15118 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
ATG4B Q9Y4P1 1/20 0.47
MMP3 P08254 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
SCHEMBL7483795 0.90 MEN1 (0.65) KMT2APOLBMEN1GAALMNA
SCHEMBL7480640 0.85 MEN1 (0.59) KMT2AMEN1GAALMNAMAPT
SCHEMBL7479597 0.83 GLS (0.55) KMT2APOLBMEN1GAALMNA
SCHEMBL7483978 0.82 ABL1 (0.62) KMT2AMEN1GAALMNAMAPT
SCHEMBL7423143 0.79 MEN1 (0.62) KMT2APOLBMEN1GAALMNA
SCHEMBL7484054 0.79 LMNA (0.61) KMT2APOLBMEN1GAALMNA
SCHEMBL7477400 0.78 KMT2A (0.64) KMT2APOLBMEN1GAALMNA
SCHEMBL7483438 0.78 RAB9A (0.54) KMT2APOLBMEN1GAALMNA
SCHEMBL7481013 0.77 MAPT (0.63) KMT2APOLBMEN1GAALMNA
SCHEMBL7482874 0.77 LMNA (0.62) KMT2APOLBMEN1GAALMNA

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