SCHEMBL27918761

SCHEMBL27918761

C#Cc1ccc(C(=O)n2cc[nH]c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ VCAM1 P19320 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL27918768 0.83 SLC22A12 (0.37) SLC22A12PTPN11CASP6GAAVCAM1
SCHEMBL27918760 0.81 PARP1 (0.52) SLC22A12CASP6GAAVCAM1LMNA
SCHEMBL5408701 0.75 CES1 (0.47) GAAALDH1A1KMT2AMEN1TSHR
SCHEMBL14934225 0.74 MEN1 (0.39) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL15218943 0.74 RXFP1 (0.52) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL15208504 0.74 HTT (0.54) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL28317899 0.73 CASP6 (0.64) CASP6LMNATSHR
SCHEMBL15209356 0.73 L3MBTL1 (0.54) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL15208727 0.73 ALDH1A1 (0.44) CASP6GAALMNAALDH1A1KMT2A
SCHEMBL15209063 0.73 GAA (0.48) GAALMNAALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086925-B Benzoyl urea derivative with active anticancer and its production and use 浙江海正药业股份有限公司 2016-07-06 — — CN claimed
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
CN-103086925-B Benzoyl urea derivative with active anticancer and its production and use 浙江海正药业股份有限公司 2016-07-06 — — CN 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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