SCHEMBL8103369

SCHEMBL8103369

N#Cc1ccccc1NC(=O)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
KDM4E B2RXH2 4/20 0.58
NLRP3 Q96P20 1/20 0.55
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL1015519 0.83 MEN1 (0.47) GAAKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL896517 0.83 FAAH (0.43) GAAKDM4ENLRP3ALDH1A1MEN1
SCHEMBL514620 0.81 GAA (0.67) GAAKDM4ENLRP3ALDH1A1L3MBTL1
SCHEMBL9366927 0.81 NLRP3 (0.46) GAAKDM4ENLRP3ALDH1A1L3MBTL1
SCHEMBL514619 0.80 NLRP3 (0.57) GAAKDM4ENLRP3ALDH1A1L3MBTL1
SCHEMBL4766358 0.79 GAA (0.69) GAAKDM4ENLRP3ALDH1A1L3MBTL1
SCHEMBL5337611 0.79 KMT2A (0.54) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL30644771 0.79 KMT2A (0.54) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL30542575 0.78 RAB9A (0.50) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL30542552 0.78 KMT2A (0.48) GAAKDM4EALDH1A1L3MBTL1MEN1

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
JP-2000044525-A PRODUCTION OF AMINOBENZONITRILE COMPOUND SHOWA DENKO KK 2000-02-15 JP disclosed