SCHEMBL28360975

SCHEMBL28360975

[N-]=[N+]=NCCCC(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ GNAI3 P08754 4/20 0.39
▸ GNAO1 P09471 4/20 0.39
▸ GNAI1 P63096 4/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TPSAB1 Q15661 2/20 0.35
▸ TPSD1 Q9BZJ3 2/20 0.35
▸ TPSG1 Q9NRR2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CHKA P35790 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL28361039 0.95 GNAI3 (0.41) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL28360951 0.94 GNAI3 (0.43) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL28364611 0.94 GNAI3 (0.43) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL28364487 0.94 GNAI3 (0.43) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL28360880 0.90 CA2 (0.38) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL30250011 0.83 ATM (0.59) ATML3MBTL1NPC1MEN1KMT2A
SCHEMBL29969222 0.81 CA2 (0.39) DDB1CRBNCA2CA12CA1
SCHEMBL15648204 0.80 TPSAB1 (0.34) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL16756662 0.78 GNAI3 (0.56) ATMGNAI3GNAO1GNAI1ITGB3
SCHEMBL9415769 0.78 GNAI3 (0.56) ATMGNAI3GNAO1GNAI1ITGB3

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-110845445-A Connecting body, preparation method and application thereof, and thalidomide-based PROTACs intermediate and application thereof 苏州爱玛特生物科技有限公司 2020-02-28 — — CN disclosed
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