SCHEMBL27901147

SCHEMBL27901147

Cn1ccn(C(=O)c2ccc(I)c([N+](=O)[O-])c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ SLC22A12 Q96S37 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP6 P55212 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ HCAR3 P49019 2/20 0.35

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
SCHEMBL27918760 0.82 PARP1 (0.52) PARP1SLC22A12GAATSHRCASP6
SCHEMBL27918768 0.81 SLC22A12 (0.37) SLC22A12GAATSHRCASP6LMNA
SCHEMBL14934256 0.73 PARP1 (0.51) PARP1GAALMNAALDH1A1KMT2A
SCHEMBL3181806 0.73 PARP1 (0.70) PARP1TSHRCASP6LMNAALDH1A1
SCHEMBL10954211 0.72 PARP1 (0.74) PARP1TSHRCASP6LMNAALDH1A1
SCHEMBL8629267 0.71 PARP1 (0.72) PARP1GAATSHRCASP6LMNA
SCHEMBL30995722 0.71 PARP1 (0.72) PARP1TSHRCASP6LMNAHCAR3
SCHEMBL1766442 0.71 PARP1 (0.72) PARP1TSHRCASP6LMNAHCAR3
SCHEMBL16956868 0.71 PARP1 (0.67) PARP1TSHRCASP6LMNAKMT2A
SCHEMBL1767399 0.70 PARP1 (0.70) PARP1TSHRCASP6LMNAALDH1A1

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 2 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
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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