SCHEMBL28857763

SCHEMBL28857763

O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1.c1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX5 P09917 2/20 0.40
▸ SRD5A2 P31213 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CASR P41180 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 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
SCHEMBL28012220 0.85 ALOX15 (0.40) TP53TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL28005922 0.84 ALOX15 (0.39) TP53TDP1SMN1; SMN2KDM4EALDH1A1
Isophthalic Acid SCHEMBL28119902 0.81 TP53 (0.47) TP53KDM4EMAPT
SCHEMBL232779 0.80 TP53 (0.64) TP53MEN1KMT2ATDP1CYP3A4
Hydrochloric Acid SCHEMBL2299193 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4
Methane SCHEMBL7896214 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4
SCHEMBL28172063 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4
SCHEMBL9133420 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4
SCHEMBL8060267 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4
Hydrochloric Acid SCHEMBL3088495 0.78 TP53 (0.62) TP53MEN1KMT2ATDP1CYP3A4

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-105367608-B Four kinds of metal organic frames and its preparation method and application based on Co (II) 山东师范大学 2018-03-23 — — CN claimed
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