SCHEMBL28464229

SCHEMBL28464229

C=Cc1ccc(CN=C(N)N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 7/20 0.47
▸ GRIN2B Q13224 7/20 0.47
▸ GRIN2D O15399 3/20 0.47
▸ GRIN3B O60391 3/20 0.47
▸ GRIN2A Q12879 3/20 0.47
▸ GRIN2C Q14957 3/20 0.47
▸ GRIN3A Q8TCU5 3/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ F11 P03951 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42

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
Hydrochloric Acid SCHEMBL28464112 0.98 GRIN1 (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7635935 0.74 GRIN1 (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4094076 0.74 GRIN2D (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12630756 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL9667523 0.72 TAAR1 (0.71) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4097844 0.72 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL17351900 0.72 GRIN2B (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL45769 0.72 GRIN2B (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL19520756 0.71 GRIN2D (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL27357155 0.71 GRIN1 (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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-111567927-B Hydrophobic sterilization mask 北京大学深圳研究生院 2022-06-17 — — CN disclosed
CN-111567927-A Hydrophobic sterilization mask 北京大学深圳研究生院 2020-08-25 — — CN disclosed
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