SCHEMBL10334282

SCHEMBL10334282

O=C(O)c1cc(-c2ccccc2S(=O)(=O)O)c2ccc3c(-c4ccccc4S(=O)(=O)O)cc(C(=O)O)nc3c2n1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37
RCE1 Q9Y256 1/20 0.36
CDC25B P30305 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
CHAT P28329 1/20 0.35
SNCA P37840 1/20 0.35
GRM2 Q14416 1/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL10372240 0.99 MMP2 (0.41) MMP2KDM4EMAPTRAB9ATDP1
SCHEMBL29625838 0.99 MMP2 (0.41) MMP2KDM4EMAPTRAB9ATDP1
SCHEMBL10372912 0.86 MMP2 (0.41) MMP2KDM4EMAPTRAB9ATDP1
SCHEMBL1642877 0.85 MMP2 (0.39) MMP2KDM4EMAPTRAB9ATDP1
SCHEMBL10370585 0.79 FEN1 (0.46) MMP2CYP2C19
SCHEMBL10372590 0.78 RCE1 (0.34) KDM4EMAPTTDP1CYP2D6RCE1
SCHEMBL10373312 0.78 FDPS (0.43) MMP2KDM4EMAPTRAB9ATDP1
SCHEMBL22257500 0.78 MYC (0.37) KDM4EMAPTRCE1CHATSNCA
SCHEMBL1642881 0.77 GPR35 (0.43) MMP2GRM2
SCHEMBL29493694 0.77 GPR35 (0.43) MMP2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954714-A Apparatus for time-resolved photography of fluorescence HSC RESEARCH DEVELOPMENT CORPORATION (CA) 1990-09-04 US disclosed