SCHEMBL14934211

SCHEMBL14934211

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.56
▸ HCAR3 P49019 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL14934268 0.87 PARP1 (0.51) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934266 0.85 PARP1 (0.52) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL15208952 0.84 PARP1 (0.64) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934267 0.83 PARP1 (0.50) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934251 0.82 PARP1 (0.57) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL27901177 0.81 PARP1 (0.69) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934239 0.80 HCAR3 (0.41) HCAR3MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14934242 0.78 PARP1 (0.54) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934253 0.78 PARP1 (0.54) PARP1HCAR3MEN1KMT2ASMN1; SMN2
SCHEMBL14934263 0.77 PARP1 (0.55) PARP1HCAR3KMT2ASMN1; SMN2ALDH1A1

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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