SCHEMBL10748840

SCHEMBL10748840

Nc1cc(Oc2cc(N)c(N)c([N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ TDP1 Q9NUW8 6/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ TSHR P16473 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 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
SCHEMBL10974543 0.85 MEN1 (0.51) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL1232164 0.75 ALDH1A1 (0.47) TDP1ALDH1A1TSHRMAPTPOLB
SCHEMBL10902570 0.73 MEN1 (0.47) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL10748838 0.71 ALDH1A1 (0.39) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL29232798 0.69 ALDH1A1 (0.40) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL8088956 0.69 ALDH1A1 (0.44) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL8773007 0.68 ALDH1A1 (0.46) HTTTDP1ALDH1A1TSHRPOLB
SCHEMBL7861184 0.67 ALDH1A1 (0.39) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL30488438 0.67 MEN1 (0.48) HTTTDP1ALDH1A1TSHRMAPT
SCHEMBL6048769 0.67 MEN1 (0.48) HTTTDP1ALDH1A1TSHRMAPT

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-4673773-A AROMATIC POLYAMIDE DIELECTRIC UBE INDUSTRIES, LTD. (JP) 1987-06-16 — — US disclosed
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