SCHEMBL28846986

SCHEMBL28846986

NC(=O)OCc1ncc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NQO1 P15559 1/20 0.36
▸ PLAU P00749 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL28446989 0.81 LMNA (0.39) CYP1A2LMNANQO1NPSR1MAOB
SCHEMBL28340802 0.81 LMNA (0.39) CYP1A2LMNANQO1PLAUNPSR1
SCHEMBL28523610 0.79 LMNA (0.38) CYP1A2LMNANQO1NPSR1ALOX15
SCHEMBL28896473 0.78 LMNA (0.40) CYP1A2LMNANQO1SIRT6ALOX15
SCHEMBL14639041 0.78 NQO1 (0.39) CYP1A2LMNANQO1NPSR1ALOX15
SCHEMBL28846885 0.77 LMNA (0.40) LMNANQO1L3MBTL1ALDH1A1POLB
SCHEMBL28532598 0.73 LMNA (0.39) CYP1A2LMNANQO1NPSR1SIRT6
SCHEMBL3216531 0.73 PLAU (0.40) CYP1A2LMNAPLAUL3MBTL1ALDH1A1
SCHEMBL17764516 0.72 CYP1A2 (0.36) CYP1A2LMNANQO1NPSR1L3MBTL1
SCHEMBL28697197 0.71 DGAT1 (0.43) LMNA

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-108473464-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 — — CN disclosed
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