SCHEMBL14934221

SCHEMBL14934221

C#Cc1ccc(C(=O)N2CCN(C)C2=O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 5/20 0.37
▸ HTT P42858 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CTPS1 P17812 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.36
▸ F2 P00734 1/20 0.36

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
SCHEMBL15208727 0.82 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14934256 0.82 PARP1 (0.51) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14934225 0.80 MEN1 (0.39) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15209356 0.80 L3MBTL1 (0.54) GAAALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15209122 0.79 L3MBTL1 (0.53) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15208504 0.78 HTT (0.54) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15218943 0.78 RXFP1 (0.52) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15208345 0.77 SMN1; SMN2 (0.56) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27918768 0.75 SLC22A12 (0.37) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15208595 0.75 GAA (0.67) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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
WO-2013064029-A1 BENZOYLUREA DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF 浙江海正药业股份有限公司 (CN) 2013-05-10 — — WO disclosed
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