SCHEMBL28865452

SCHEMBL28865452

Cn1ccnc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ MYC P01106 1/20 0.48
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LDHA P00338 7/20 0.43
▸ LDHB P07195 7/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL6562338 0.85 GAA (0.47) GAAMYCHTTALDH1A1MAPT
SCHEMBL5918187 0.80 LDHA (0.60) GAAHTTALDH1A1MAPTLMNA
SCHEMBL6563493 0.80 HTT (0.49) GAAHTTALDH1A1MAPTLMNA
SCHEMBL6920434 0.80 MAPT (0.54) GAAHTTALDH1A1MAPTLMNA
SCHEMBL1045991 0.79 SMN1; SMN2 (0.58) GAAHTTALDH1A1MAPTLMNA
SCHEMBL28404803 0.77 MAPT (0.52) GAAMYCHTTALDH1A1MAPT
SCHEMBL4199041 0.77 HTT (0.47) GAAHTTALDH1A1MAPTLMNA
SCHEMBL5604635 0.76 TSHR (0.49) GAAHTTALDH1A1MAPTLMNA
SCHEMBL7452688 0.75 CA1 (0.41) GAAALDH1A1MAPTSMN1; SMN2CA1
Bromide SCHEMBL7373319 0.74 RAB9A (0.48) GAAHTTALDH1A1MAPTLMNA

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-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 — — CN claimed
CN-108690217-A Carbon fiber recycles composition and method 波音公司 2018-10-23 — — CN disclosed
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