SCHEMBL5223669

SCHEMBL5223669

COc1ccc(-c2cc(NCc3ccccc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.54
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SOAT1 P35610 2/20 0.50
HPGD P15428 1/20 0.50
ACP1 P24666 2/20 0.49
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 2/20 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
SCHEMBL17640679 0.78 NPC1 (0.49) CLK4MAPTNPC1RAB9AMEN1
SCHEMBL17640680 0.77 PIK3CD (0.51) CLK4MAPTNPC1RAB9AMEN1
SCHEMBL28681917 0.75 HPGD (0.74) MAPTMEN1KMT2AHPGDACP1
SCHEMBL5227004 0.75 NPC1 (0.62) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19307654 0.73 PIK3CD (0.49) CLK4MAPTNPC1RAB9AMEN1
SCHEMBL17640655 0.73 HIF1A (0.44) CLK4MAPTNPC1RAB9AMEN1
SCHEMBL22919409 0.73 CLK4 (0.47) CLK4MAPTMEN1KMT2AHPGD
SCHEMBL31553220 0.73 CLK4 (0.47) CLK4MAPTMEN1KMT2AHPGD
SCHEMBL5221958 0.72 ALDH1A1 (0.51) MAPTNPC1RAB9AHPGDKDM4E
SCHEMBL1753019 0.72 NPC1 (0.86) CLK4MAPTNPC1RAB9AMEN1

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-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed