SCHEMBL4611285

SCHEMBL4611285

O=C(O)c1cccnc1NCBr

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.60
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 3/20 0.50
HTT P42858 3/20 0.50

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
SCHEMBL2179962 0.84 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6168326 0.84 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4611740 0.84 DHODH (0.58) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL496596 0.82 KDM4C (0.54) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8826118 0.81 KDM4E (0.75) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL14399048 0.81 DHODH (0.55) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6168145 0.81 KDM5B (0.66) DHODHMEN1KMT2AKDM4ETDP1
SCHEMBL2946120 0.80 DHODH (0.54) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL18691447 0.80 MEN1 (0.56) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL495687 0.80 DHODH (0.54) DHODHMEN1KMT2ARAB9ASMN1; SMN2

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-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed