SCHEMBL14401355

SCHEMBL14401355

O=C(O)c1cccc(Nc2nc(Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3)nc(Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.59
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
NSD2 O96028 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SNCA P37840 1/20 0.43
CDC25B P30305 4/20 0.43
HPSE Q9Y251 2/20 0.42
ENPP2 Q13822 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PRKCA P17252 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
SCHEMBL14375738 0.89 RHOA (0.47) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL14394380 0.88 RHOA (0.45) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL12215090 0.85 RHOA (0.42) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL14394384 0.82 CASP6 (0.47) MEN1KMT2ANSD2DUSP3PTPN5
SCHEMBL12215088 0.81 CASP6 (0.45) MEN1KMT2ANSD2DUSP3PTPN5
SCHEMBL8338202 0.81 CASP6 (0.63) RHOANSD2DUSP3PTPN5CASP7
SCHEMBL13705658 0.81 CA12 (0.49) HTTNSD2DUSP3PTPN5CASP7
SCHEMBL12215410 0.79 RHOA (0.37) RHOAMEN1KMT2ARAB9ANPC1
SCHEMBL18503845 0.79 LCK (0.50) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL30633056 0.78 RHOA (0.93) RHOAMEN1KMT2ARAB9ANPC1

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
US-7279033-B2 Ink jet and ink jet recording method FUJIFILM CORPORATION (JP) 2007-10-09 US disclosed
EP-1514913-B1 Ink jet ink and ink jet recording method FUJIFILM CORP (JP) 2007-04-11 EP disclosed