SCHEMBL28071729

SCHEMBL28071729

CN(C)C(=O)c1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.63
▸ CYCS P99999 4/20 0.57
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ CSNK2A1 P68400 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 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
SCHEMBL22332272 0.91 TOP1 (0.70) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL11339474 0.89 TOP1 (0.75) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL140681 0.89 TOP1 (0.67) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL11334086 0.88 TOP1 (0.65) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL28919688 0.88 TOP1 (0.65) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL17894094 0.84 TOP1 (0.75) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL26285347 0.84 TOP1 (0.57) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL14246834 0.81 CYCS (0.62) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL29664855 0.81 CYCS (0.62) TOP1CYCSSTAT3STAT1ABCG2
SCHEMBL13547831 0.80 STAT3 (0.56) TOP1CYCSSTAT3STAT1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105936638-A Porphyrin compound and preparation method and application thereof in surface enhanced Raman probe 辽宁大学 2016-09-14 — — CN disclosed
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