SCHEMBL30568720

SCHEMBL30568720

Nc1cc(C(=O)[O-])c(N)cc1C(=O)[O-].Nc1cc(C(=O)[O-])c(N)cc1C(=O)[O-].[Ti+4]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
TDP1 Q9NUW8 4/20 0.45
POLB P06746 2/20 0.45
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 1/20 0.33

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
Pyromellitic Acid SCHEMBL1881547 0.76 KDM4E (0.42) KDM4ETDP1POLBALDH1A1HPGD
SCHEMBL7717550 0.75 IDO1 (0.66) KDM4ETDP1POLBIDO1ALDH1A1
SCHEMBL6031822 0.74 TDP1 (0.62) KDM4ETDP1POLBIDO1ALDH1A1
SCHEMBL6030343 0.74 KDM4E (0.68) KDM4ETDP1POLBIDO1ALDH1A1
SCHEMBL2810183 0.74 TDP1 (0.42) KDM4ETDP1POLBALDH1A1CYP3A4
Potassium Ion SCHEMBL2807683 0.74 CYP3A4 (0.42) KDM4ETDP1POLBALDH1A1CYP3A4
SCHEMBL11542656 0.72 KDM4E (0.46) KDM4ETDP1POLBKMT2AGFER
SCHEMBL23357751 0.72 MAPT (0.47) KDM4ETDP1POLBALDH1A1CYP3A4
Potassium Ion SCHEMBL8214226 0.72 MAPT (0.47) KDM4ETDP1POLBALDH1A1CYP3A4
Zinc Ion SCHEMBL12486610 0.72 MAPT (0.47) KDM4ETDP1POLBALDH1A1CYP3A4

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
CN-116732637-A Preparation method of high-elasticity spandex 烟台舜康生物科技有限公司 2023-09-12 CN disclosed