SCHEMBL7477611

SCHEMBL7477611

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
BLM P54132 1/20 0.53
PTPN1 P18031 2/20 0.53
MAPT P10636 7/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ABL1 P00519 2/20 0.46
SRC P12931 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7475712 0.92 MEN1 (0.50) KMT2ANPC1MEN1BLMPTPN1
SCHEMBL7429153 0.90 MEN1 (0.49) KMT2ANPC1MEN1BLMPTPN1
SCHEMBL7427489 0.84 MEN1 (0.58) KMT2ANPC1MEN1PTPN1MAPT
SCHEMBL7487945 0.83 BLM (0.61) KMT2ANPC1MEN1BLMPTPN1
SCHEMBL7426341 0.81 MEN1 (0.59) KMT2ANPC1MEN1PTPN1MAPT
SCHEMBL7478654 0.80 BLM (0.61) KMT2ANPC1MEN1BLMMAPT
SCHEMBL7481487 0.78 BLM (0.59) KMT2ANPC1MEN1BLMMAPT
SCHEMBL7479019 0.78 RAB9A (0.61) KMT2ANPC1MEN1PTPN1MAPT
SCHEMBL7423143 0.78 MEN1 (0.62) KMT2ANPC1MEN1PTPN1MAPT
SCHEMBL7482056 0.78 BLM (0.58) KMT2ANPC1MEN1BLMMAPT

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