SCHEMBL5233290

SCHEMBL5233290

Cc1ccc(NC(=O)c2nccnc2OC(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 9/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47
SORT1 Q99523 1/20 0.46
MITF O75030 1/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HCRTR1 O43613 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL4708765 0.84 L3MBTL1 (0.51) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL4885704 0.82 KMT2A (0.64) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL5200379 0.81 KMT2A (0.53) KMT2AHCRTR1
SCHEMBL5291491 0.74 MAPK1 (0.51) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL16885484 0.73 NPC1 (0.57) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL4283746 0.73 NPC1 (0.57) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL2636192 0.73 RAB9A (0.78) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL3529609 0.71 KDM4E (0.72) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL30281726 0.71 RAB9A (0.68) RAB9AMAPTKDM4ENPC1TP53
SCHEMBL21709858 0.70 KDM4E (0.82) RAB9AMAPTKDM4ENPC1TP53

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-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