SCHEMBL14479038

SCHEMBL14479038

CNNC(=O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.58
▸ MGLL Q99685 14/20 0.53
▸ HSP90AA1 P07900 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ FAAH O00519 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 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
SCHEMBL14000501 0.86 DDAH1 (0.61) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL19480442 0.85 DDAH1 (0.56) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL17231644 0.81 HPGD (0.58) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL20750037 0.81 DDAH1 (0.51) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL10968265 0.80 DDAH1 (0.63) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL11791404 0.79 ALDH1A1 (0.61) TDP1ALDH1A1HPGDHTTHDAC1
SCHEMBL17208725 0.79 DDAH1 (0.53) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL17208726 0.79 HTT (0.55) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL3339259 0.79 DDAH1 (0.61) DDAH1MGLLHSP90AA1NPSR1TDP1
SCHEMBL22520781 0.78 DDAH1 (0.56) DDAH1MGLLHSP90AA1NPSR1TDP1

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
EP-1315699-B1 HYDRAZINE-BASED AND CARBONYL-BASED BIFUNCTIONAL CROSSLINKING REAGENTS SOLULINK INC (US) 2013-01-02 — — EP disclosed
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