SCHEMBL14934264

SCHEMBL14934264

O=C1NCCN1C(=O)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL14934225 0.81 MEN1 (0.39) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14934256 0.79 PARP1 (0.51) PARP1MEN1KMT2AGAAALDH1A1
SCHEMBL10832502 0.78 CA1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3390530 0.73 MAPT (0.55) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL10954211 0.72 PARP1 (0.74) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL9672850 0.72 MAPT (0.48) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL27918760 0.72 PARP1 (0.52) PARP1MEN1KMT2AGAAALDH1A1
SCHEMBL8629267 0.71 PARP1 (0.72) PARP1GAAALDH1A1MAPTL3MBTL1
SCHEMBL30995722 0.71 PARP1 (0.72) PARP1LMNACASP6
SCHEMBL1766442 0.71 PARP1 (0.72) PARP1LMNACASP6

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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