SCHEMBL7475712

SCHEMBL7475712

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 4/20 0.50
BLM P54132 1/20 0.50
PTPN1 P18031 2/20 0.48
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.44
ABL1 P00519 2/20 0.43
SRC P12931 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
PPP1CA P62136 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7477611 0.92 KMT2A (0.61) MEN1KMT2ANPC1BLMPTPN1
SCHEMBL7479019 0.87 RAB9A (0.61) MEN1KMT2ANPC1PTPN1RAB9A
SCHEMBL7429153 0.87 MEN1 (0.49) MEN1KMT2ANPC1BLMPTPN1
SCHEMBL7426821 0.84 BLM (0.53) MEN1KMT2ANPC1BLMRAB9A
SCHEMBL7487945 0.80 BLM (0.61) MEN1KMT2ANPC1BLMPTPN1
SCHEMBL7427489 0.78 MEN1 (0.58) MEN1KMT2ANPC1PTPN1RAB9A
SCHEMBL7478654 0.77 BLM (0.61) MEN1KMT2ANPC1BLMRAB9A
SCHEMBL7481487 0.76 BLM (0.59) MEN1KMT2ANPC1BLMRAB9A
SCHEMBL7426341 0.75 MEN1 (0.59) MEN1KMT2ANPC1PTPN1RAB9A
SCHEMBL7482056 0.75 BLM (0.58) MEN1KMT2ANPC1BLMRAB9A

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 1 patent. 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