SCHEMBL11722682

SCHEMBL11722682

Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C)c(S)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CA12 O43570 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL12556877 0.83 TDP1 (0.56) MEN1GFERKMT2ALMNATDP1
SCHEMBL11726856 0.82 LMNA (0.61) MEN1GFERKMT2ALMNATDP1
SCHEMBL10885870 0.80 RECQL (0.59) MEN1GFERKMT2ALMNATDP1
SCHEMBL11726826 0.79 MEN1 (0.55) MEN1GFERKMT2ALMNATDP1
SCHEMBL11719865 0.79 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL11619089 0.79 LMNA (0.54) MEN1GFERKMT2ALMNATDP1
SCHEMBL16656162 0.78 CASP1 (0.52) MEN1GFERKMT2ALMNATDP1
SCHEMBL11825657 0.78 ALDH1A1 (0.47) MEN1GFERKMT2ALMNATDP1
SCHEMBL11723655 0.77 MEN1 (0.53) MEN1GFERKMT2ALMNATDP1
SCHEMBL11623896 0.77 ALDH1A1 (0.55) MEN1GFERKMT2ATDP1ALDH1A1

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-4025505-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1977-05-24 — — US disclosed
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