SCHEMBL11720865

SCHEMBL11720865

Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c(S(=O)(=O)O)c(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KCNMA1 Q12791 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL11720856 0.84 KCNMA1 (0.49) CRHBPCRHR2TDP1KCNMA1USP2
SCHEMBL10721057 0.77 CASP6 (0.50) HPGDPOLBALDH1A1NPC1RAB9A
SCHEMBL11714127 0.76 AURKB (0.43) TDP1L3MBTL1HPGDUSP2POLB
SCHEMBL11437898 0.74 HPGD (0.59) TDP1HPGDUSP2POLBALDH1A1
SCHEMBL11439150 0.74 MAPT (0.52) TDP1HPGDUSP2POLBALDH1A1
SCHEMBL16583563 0.74 TDP1 (0.60) CRHBPCRHR2TDP1L3MBTL1HPGD
SCHEMBL11437902 0.72 KCNMA1 (0.51) CRHBPCRHR2TDP1KCNMA1USP2
SCHEMBL11426047 0.72 HPGD (0.62) TDP1HPGDUSP2POLBALDH1A1
SCHEMBL11439152 0.72 KCNMA1 (0.48) CRHBPCRHR2TDP1HPGDKCNMA1
SCHEMBL11423955 0.72 HPGD (0.52) TDP1HPGDUSP2POLBALDH1A1

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-4018764-A IMMUNOLOGY, ANTIBODY INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-04-19 — — US disclosed
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