SCHEMBL7494409

SCHEMBL7494409

O=[N+]([O-])c1cccc2c1Nc1ccccc1C=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
P2RX4 Q99571 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
XDH P47989 1/20 0.39
PARP1 P09874 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37
TDP2 O95551 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL17065875 0.88 ALDH1A1 (0.44) GAAMAPTP2RX4TDP1ALDH1A1
SCHEMBL11323233 0.85 GAA (0.52) GAAMAPTP2RX4TDP1ALDH1A1
SCHEMBL17065871 0.77 GAA (0.46) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL9149469 0.75 MAPT (0.56) GAAMAPTP2RX4TDP1ALDH1A1
SCHEMBL27198984 0.75 ALDH1A1 (0.46) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL30776836 0.75 ALDH1A1 (0.46) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL17950650 0.74 PDK2 (0.46) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL29470924 0.74 PDK2 (0.46) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL17072795 0.73 ALDH1A1 (0.49) GAAMAPTTDP1ALDH1A1MEN1
SCHEMBL17065876 0.73 ALDH1A1 (0.49) GAAMAPTTDP1ALDH1A1MEN1

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-0679641-B1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING EISAI CO LTD (JP) 2002-10-02 EP disclosed
US-5854274-A Tricyclic heterocyclic sulfonamide and sulfonic ester derivatives EISAI CO., LTD. (JP) 1998-12-29 US disclosed
EP-0679641-A1 SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EACH HAVING TRICYCLIC HETERO RING Eisai Co., Ltd. (JP) 1995-11-02 EP disclosed