SCHEMBL7044641

SCHEMBL7044641

O=C(NC(NC(=O)NS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)NS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ITGA1 P56199 3/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 2/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PPARA Q07869 1/20 0.43
BDKRB1 P46663 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL4964940 0.84 LMNA (0.62) KMT2ACA1CA2CA9LMNA
SCHEMBL27952305 0.81 CA1 (0.48) MEN1KMT2ACA1CA2CA9
SCHEMBL5184973 0.72 LMNA (0.79) MEN1KMT2AITGA1CA1CA2
SCHEMBL8662451 0.71 LMNA (0.57) MEN1KMT2AITGA1CA1CA2
SCHEMBL6883439 0.71 PTPN1 (0.39) MEN1KMT2ACA1CA2CA9
SCHEMBL7895365 0.71 MEN1 (0.54) MEN1KMT2AITGA1CA1CA2
SCHEMBL19267848 0.70 ALDH1A1 (0.52) CA1CA2CA9LMNAALDH1A1
SCHEMBL6012074 0.70 CA2 (0.60) CA1CA2CA9LMNACA12
SCHEMBL9163179 0.69 ALDH1A1 (0.64) MEN1KMT2AITGA1CA1CA2
SCHEMBL8424044 0.67 FLT1 (0.73) MEN1KMT2ACA1CA2CA9

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
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed