SCHEMBL27918768

SCHEMBL27918768

C#Cc1ccc(C(=O)n2ccn(C)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ VCAM1 P19320 1/20 0.33

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
SCHEMBL27918761 0.83 SLC22A12 (0.37) SLC22A12GAAALDH1A1TSHRLMNA
SCHEMBL27901147 0.81 PARP1 (0.52) SLC22A12GAAALDH1A1TSHRLMNA
SCHEMBL15209356 0.76 L3MBTL1 (0.54) GAAALDH1A1TSHRLMNAMAPT
SCHEMBL14934221 0.75 GAA (0.40) GAAALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL15209122 0.75 L3MBTL1 (0.53) GAAALDH1A1TSHRLMNAMAPT
SCHEMBL15208504 0.74 HTT (0.54) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL15218943 0.74 RXFP1 (0.52) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL28317899 0.73 CASP6 (0.64) TSHRLMNACASP6
SCHEMBL15208727 0.73 ALDH1A1 (0.44) GAAALDH1A1LMNAMAPTKMT2A
SCHEMBL15208345 0.73 SMN1; SMN2 (0.56) GAAALDH1A1LMNAMAPTKMT2A

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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