SCHEMBL12834399

SCHEMBL12834399

O=C(NNC(=O)C(F)(F)F)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.51
▸ MGLL Q99685 11/20 0.47
▸ HSP90AA1 P07900 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ FAAH O00519 5/20 0.46
▸ TLR9 Q9NR96 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ UBE2N P61088 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL19480442 0.80 DDAH1 (0.56) DDAH1MGLLHSP90AA1NPSR1TDP1
Trifluoroacetic Acid SCHEMBL20945171 0.78 DDAH1 (0.54) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL14479038 0.78 DDAH1 (0.58) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL19480556 0.75 DDAH1 (0.47) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL10968265 0.75 DDAH1 (0.63) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL22116931 0.75 SRD5A2 (0.48) TDP1ALDH1A1MEN1LMNAKMT2A
SCHEMBL3339259 0.74 DDAH1 (0.61) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL14000501 0.74 DDAH1 (0.61) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL22116994 0.74 POLB (0.61) HSP90AA1TDP1ALDH1A1HTTMEN1
SCHEMBL29555730 0.74 GAA (0.70) TDP1ALDH1A1HTTMEN1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298736-B1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents SOLULINK INC (US) 2015-07-15 — — EP disclosed
EP-2298736-A1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents Solulink, Inc. (US) 2011-03-23 — — EP disclosed
EP-2295407-A1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents Solulink, Inc. (US) 2011-03-16 — — EP disclosed
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