SCHEMBL14934261

SCHEMBL14934261

O=C(NC(=O)N1CCCCC1)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GAA P10253 4/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HTT P42858 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL14934258 0.99 ALDH1A1 (0.53) ALDH1A1LMNAGAAPARP1SMN1; SMN2
SCHEMBL14934216 0.82 ALDH1A1 (0.52) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL14934220 0.81 ALDH1A1 (0.50) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL28829330 0.80 ALDH1A1 (0.53) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL27901177 0.77 PARP1 (0.69) ALDH1A1LMNAPARP1SMN1; SMN2HTT
SCHEMBL15208952 0.77 PARP1 (0.64) ALDH1A1GAAPARP1SMN1; SMN2TDP1
SCHEMBL14934251 0.75 PARP1 (0.57) ALDH1A1LMNAGAAPARP1SMN1; SMN2
SCHEMBL14934253 0.74 PARP1 (0.54) ALDH1A1LMNAGAAPARP1SMN1; SMN2
SCHEMBL14934211 0.74 PARP1 (0.56) ALDH1A1LMNAPARP1SMN1; SMN2HTT
SCHEMBL14934242 0.72 PARP1 (0.54) ALDH1A1LMNAGAAPARP1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086925-A Benzoyl urea derivatives having anticancer activity and their preparation method and use ZHEJIANG HISUN PHARM CO LTD 2013-05-08 — — CN claimed
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
CN-103086925-A Benzoyl urea derivatives having anticancer activity and their preparation method and use ZHEJIANG HISUN PHARM CO LTD 2013-05-08 — — CN disclosed
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