SCHEMBL28853596

SCHEMBL28853596

COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2Cc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.52
▸ SLC2A1 P11166 1/20 0.48
▸ SYK P43405 5/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ INCENP Q9NQS7 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SGK1 O00141 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TGFBR1 P36897 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ METAP2 P50579 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL31691426 0.81 ALOX15 (0.47) PKMPOLBKDM4EMAPTNPC1
SCHEMBL31691389 0.80 KMT2A (0.47) SYKAURKBINCENPPKMPOLB
SCHEMBL2987181 0.80 PARP10 (0.50) EGFRSYKAURKBINCENPPOLB
SCHEMBL7834117 0.79 PKM (0.60) PKMPOLBKDM4EMAPTNPC1
SCHEMBL4664597 0.77 EGFR (0.60) EGFRSLC2A1PTGS2SGK1CAMKK2
SCHEMBL19512975 0.75 SLC6A3 (0.52) KDM4EMAPTLMNAALOX15HTT
SCHEMBL28787158 0.74 EGFR (0.52) EGFRSLC2A1PTGS2MAPTMEN1
SCHEMBL27621631 0.74 EGFR (0.56) EGFRSLC2A1PTGS2SGK1CAMKK2
SCHEMBL19474955 0.73 ALDH1A1 (0.56) PKMPOLBKDM4ELMNAALOX15
SCHEMBL7443031 0.73 DHFR (0.44) SYKPKMKDM4EMAPTALOX15

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-115124677-B Meltable metallic organic framework material and covalent organic framework material, and preparation methods and uses thereof 首都师范大学 2023-09-26 — — CN disclosed
CN-115124677-A Meltable metal organic framework material and covalent organic framework material, preparation method and application thereof 首都师范大学 2022-09-30 — — CN disclosed
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