SCHEMBL27491468

SCHEMBL27491468

O=C(Oc1cc([N+](=O)[O-])ccc1Cl)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SCD O00767 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8315096 0.82 MAPT (0.51) TDP1POLBL3MBTL1LMNAGAA
SCHEMBL28448328 0.78 ALDH1A1 (0.52) TDP1POLBL3MBTL1LMNAALDH1A1
SCHEMBL29274466 0.77 KMT2A (0.55) HSD17B10LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8571768 0.77 HSD17B10 (0.53) TDP1POLBHSD17B10LMNAGAA
SCHEMBL27474677 0.77 KMT2A (0.71) TDP1POLBL3MBTL1GAAALDH1A1
SCHEMBL27474675 0.76 KMT2A (0.55) TDP1POLBL3MBTL1LMNAGAA
SCHEMBL8316951 0.75 POLB (0.57) TDP1POLBL3MBTL1LMNAALDH1A1
SCHEMBL27492525 0.75 KMT2A (0.56) TDP1POLBL3MBTL1LMNAALDH1A1
SCHEMBL27542005 0.74 HSD17B10 (0.50) POLBHSD17B10GAAKMT2AHTT
SCHEMBL27504484 0.74 KMT2A (0.66) TDP1POLBL3MBTL1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 — — CN claimed
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 — — CN disclosed
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