SCHEMBL28536551

SCHEMBL28536551

CCN=C=Nc1cccc(CC)c1N=C=NCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.50
▸ GABRB2 P47870 4/20 0.50
▸ CYP3A4 P08684 1/20 0.32
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL28658322 0.83 GABRA1 (0.42) GABRA1GABRB2CYP3A4GRIN2DGRIN3B
SCHEMBL4956648 0.77 CYP3A4 (0.32) GABRA1GABRB2CYP3A4
SCHEMBL30108401 0.77 CYP3A4 (0.32) GABRA1GABRB2CYP3A4
SCHEMBL159089 0.77 GABRA1 (0.72) GABRA1GABRB2CYP3A4ALDH1A1LMNA
SCHEMBL109349 0.77 GABRA1 (0.78) GABRA1GABRB2CYP3A4GRIN2DGRIN3B
SCHEMBL332763 0.75 GABRA1 (0.79) GABRA1GABRB2CYP3A4GRIN2DGRIN3B
SCHEMBL168873 0.71 GABRA1 (0.58) GABRA1GABRB2ALDH1A1LMNA
SCHEMBL722841 0.71 GABRA1 (0.47) GABRA1GABRB2CYP3A4GRIN2DGRIN3B
SCHEMBL11424944 0.71 GABRA1 (0.57) GABRA1GABRB2CYP3A4ALDH1A1LMNA
SCHEMBL18244924 0.71 GABRA1 (0.47) GABRA1GABRB2CYP3A4GRIN2DGRIN3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135720-A Polyester elastomer resin composition 东洋纺株式会社 2022-09-30 — — CN disclosed
CN-108713044-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-08-17 — — CN disclosed
CN-108431131-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-06-01 — — CN disclosed
CN-109153903-B Resin composition for flat cable reinforcing tape, and flat cable 住友电气工业株式会社 2021-02-02 — — CN disclosed
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