SCHEMBL8917715

SCHEMBL8917715

COC(=O)c1c(C)nc(NC(C)=O)c([N+](=O)[O-])c1-c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8917875 0.90 MAPT (0.40) ALDH1A1MAPTPOLBNUDT1MEN1
SCHEMBL13410042 0.76 GAA (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL30587182 0.75 SMN1; SMN2 (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6951228 0.75 SMN1; SMN2 (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL30686655 0.73 GAA (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL31231118 0.73 GAA (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6949718 0.73 GAA (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL8916983 0.72 ALDH1A1 (0.46) ALDH1A1MAPTPOLBNUDT1SMN1; SMN2
SCHEMBL10747419 0.70 GAA (0.44) ALDH1A1MAPTPOLBSMN1; SMN2HTT
SCHEMBL7979537 0.70 POLB (0.44) ALDH1A1MAPTPOLBMEN1KMT2A

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
US-5670525-A Substituted 4-phenyl-6-amino-nicotinic acid compounds useful in the treatment of CNS disorders BAYER AKTIENGESELLSCHAFT (DE) 1997-09-23 — — US disclosed
EP-0705820-A1 6-Amino-nicotinic acid derivatives and their use as selective K-channel modulators BAYER AG (DE) 1996-04-10 — — EP disclosed
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