SCHEMBL1900691

SCHEMBL1900691

CC(C)(C)c1cc(NC(=O)c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)no1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 8/20 0.66
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMPD1 P17405 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RPA1 P27694 1/20 0.53
CNR2 P34972 4/20 0.52
CNR1 P21554 2/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK9 P45984 1/20 0.52
PPP1CA P62136 1/20 0.51

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
SCHEMBL1897820 0.81 MALT1 (0.69) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL1897746 0.80 MALT1 (0.77) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL1514681 0.76 L3MBTL1 (0.89) MALT1MEN1KMT2ASMPD1L3MBTL1
SCHEMBL9643919 0.76 MALT1 (0.73) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL1899635 0.75 MALT1 (0.69) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL2531978 0.73 RPA1 (0.65) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL11105052 0.72 FLT3 (0.78) MEN1KMT2ASMN1; SMN2
SCHEMBL6107458 0.72 DHODH (0.60) MALT1MEN1KMT2ACNR2CNR1
SCHEMBL4500796 0.71 L3MBTL1 (1.00) MALT1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9891582 0.71 CNR2 (0.81) KMT2ACNR2CNR1CYP2C8CYP2C9

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed