SCHEMBL29145325

SCHEMBL29145325

CC(C)(C)C1CCC(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL28931175 0.89 SLC2A1 (0.35) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17818209 0.85 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27547767 0.84 NPC1 (0.38) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14033996 0.82 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27641557 0.81 MAPT (0.36) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28351724 0.78 F2 (0.41) MAPTHPGDALDH1A1HTTPTGS2
SCHEMBL28506358 0.77 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27444996 0.76 MAPT (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16500277 0.74 AKR1C3 (0.53) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL20572299 0.74 AKR1C3 (0.53) MAPTNPC1RAB9ASMN1; SMN2HPGD

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-117111405-A Preparation of linear polysiloxane low dielectric loss photosensitive resin and application of photoetching patterning 西南科技大学 2023-11-24 — — CN disclosed
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