SCHEMBL14934225

SCHEMBL14934225

C#Cc1ccc(C(=O)N2CCNC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ POLB P06746 1/20 0.35

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 0.83 ALDH1A1 (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14934264 0.81 PARP1 (0.52) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15209063 0.81 GAA (0.48) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14934221 0.80 GAA (0.40) MEN1KMT2AGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL15209798 0.80 GAA (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15218943 0.79 RXFP1 (0.52) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15208504 0.79 HTT (0.54) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15208345 0.78 SMN1; SMN2 (0.56) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15209356 0.76 L3MBTL1 (0.54) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL15208595 0.76 GAA (0.67) MEN1KMT2AGAAALDH1A1L3MBTL1

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
Send feedback