SCHEMBL6563716

SCHEMBL6563716

N#Cc1ccc(CNC(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
EPHX2 P34913 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.55
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 1/20 0.51
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
CYP19A1 P11511 1/20 0.49
IDO1 P14902 2/20 0.47
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
RECQL P46063 1/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.45
MAPK8 P45983 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 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
SCHEMBL1695664 0.83 LOXL2 (0.57) CYP2C9CYP2C19EPHX2LOXL2CA12
SCHEMBL2701020 0.83 CYP2C9 (0.61) CYP2C9CYP2C19EPHX2CA1CA2
SCHEMBL6444359 0.83 LOXL2 (0.57) EPHX2LOXL2CA12CA1CA2
SCHEMBL5317088 0.81 EPHX2 (0.55) EPHX2LOXL2CA12CA1CA2
SCHEMBL22250101 0.81 EPHX2 (0.55) EPHX2LOXL2CA12CA1CA2
SCHEMBL5315293 0.81 LOXL2 (0.60) EPHX2LOXL2CA12CA1CA2
SCHEMBL6561094 0.81 LOXL2 (0.55) CYP2C9CYP2C19EPHX2LOXL2CA12
SCHEMBL15682956 0.81 EPHX2 (0.51) EPHX2LOXL2CA12CA1CA2
SCHEMBL5315364 0.79 EPHX2 (0.52) EPHX2LOXL2CA12CA1CA2
SCHEMBL19049390 0.79 LOXL2 (0.56) EPHX2LOXL2CA12CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed