SCHEMBL4539720

SCHEMBL4539720

O=C1CNC(=O)N1c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MGLL Q99685 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AR P10275 1/20 0.49
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
GAA P10253 3/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
GFER P55789 1/20 0.42
MEN1 O00255 4/20 0.41
RECQL P46063 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
NR1H3 Q13133 1/20 0.39

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
SCHEMBL10498477 0.93 KMT2A (0.49) KMT2AHSP90AA1PKMMAPK1NPSR1
SCHEMBL11020613 0.81 CA12 (0.65) ARPOLBGAACA12CA1
SCHEMBL16263048 0.81 AR (0.46) KMT2AARPOLBGAAMEN1
SCHEMBL8819678 0.80 MAPT (0.58) KMT2AMAPK1MGLLARPOLB
SCHEMBL5302868 0.80 FAAH (0.50) KMT2AHSP90AA1NPSR1MGLLAR
SCHEMBL853440 0.80 AR (0.49) KMT2AMAPK1NPSR1TDP1AR
SCHEMBL1421707 0.80 AR (0.57) KMT2AHSP90AA1MAPK1NPSR1MGLL
SCHEMBL5182616 0.80 FAAH (0.50) KMT2AMGLLARPOLBGAA
SCHEMBL1979214 0.79 MEN1 (0.50) KMT2APKMNPSR1MGLLAR
SCHEMBL11022463 0.78 AR (0.44) KMT2ATDP1ARPOLBGAA

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-2026799-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH Galapagos SAS (FR) 2009-02-25 EP disclosed
WO-2007137874-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2007-12-06 WO disclosed