SCHEMBL4708765

SCHEMBL4708765

O=C(O)Oc1nccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 9/20 0.51
NPC1 O15118 6/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
ALOX15 P16050 2/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
BRD4 O60885 1/20 0.50
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TP53 P04637 1/20 0.49
PTK2 Q05397 1/20 0.49
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5291491 0.85 MAPK1 (0.51) L3MBTL1RAB9ANPC1KMT2AMEN1
SCHEMBL28764679 0.84 L3MBTL1 (0.66) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL29837506 0.84 L3MBTL1 (0.66) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5233290 0.84 RAB9A (0.51) RAB9ANPC1KMT2ASMN1; SMN2NFKB1
SCHEMBL3001084 0.82 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL29738593 0.82 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL29738591 0.82 KMT2A (0.60) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5200379 0.81 KMT2A (0.53) KMT2AMEN1
SCHEMBL18070988 0.80 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL13923493 0.78 SMN1; SMN2 (0.61) L3MBTL1RAB9ANPC1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed