SCHEMBL28257932

SCHEMBL28257932

O=C(O)c1cc(OCc2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.63
CTSL P07711 4/20 0.63
POLB P06746 2/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FOLH1 Q04609 1/20 0.50
CYP19A1 P11511 1/20 0.48
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
ABCB1 P08183 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 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
SCHEMBL8316504 0.93 CTSV (0.61) CTSVCTSLPOLBSENP8SENP7
SCHEMBL4222265 0.89 CTSV (0.58) CTSVCTSLPOLBSENP8SENP7
SCHEMBL31235825 0.88 CTSV (0.60) CTSVCTSLPOLBSENP8SENP7
SCHEMBL582235 0.88 CTSV (0.60) CTSVCTSLPOLBSENP8SENP7
SCHEMBL19035902 0.88 CTSV (0.57) CTSVCTSLPOLBSENP8SENP7
SCHEMBL873861 0.87 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL159283 0.87 CTSV (0.60) CTSVCTSLSENP8SENP7SENP6
SCHEMBL7116860 0.87 POLB (0.56) CTSVCTSLPOLBCYP19A1ABCB1
SCHEMBL27654714 0.86 CTSV (0.58) CTSVCTSLPOLBSENP8SENP7
SCHEMBL2722340 0.85 CTSV (0.60) CTSVCTSLPOLBFOLH1CYP19A1

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-105693634-B Compound and application thereof 清华大学 2018-12-11 CN disclosed