SCHEMBL25751606

SCHEMBL25751606

CN=[N+]=Nc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRIN2D O15399 3/20 0.38
▸ GRIN3B O60391 3/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2A Q12879 3/20 0.38
▸ GRIN2B Q13224 3/20 0.38
▸ GRIN2C Q14957 3/20 0.38
▸ GRIN3A Q8TCU5 3/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ TYR P14679 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL14868094 0.76 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL13455319 0.76 CA1 (0.44) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL26004640 0.76 CYP2C9 (0.42) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL5828331 0.74 CYP2C9 (0.48) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL20251135 0.71 RAB9A (0.50) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL20251140 0.71 RAB9A (0.50) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL3188894 0.71 TYR (0.50) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL104124 0.69 TYR (0.58) CYP2C9ALDH1A1TYRRAB9ANPSR1
SCHEMBL27898834 0.68 CYP2A6 (0.43) ALDH1A1SMN1; SMN2TYRRAB9AMAPT
SCHEMBL12024709 0.67 CYP2C9 (0.47) CYP2C9ALDH1A1SMN1; SMN2GRIN2DGRIN3B

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
US-11692217-B2 Affinity reagents having enhanced binding and detection characteristics NAUTILUS SUBSIDIARY, INC. (US) 2023-07-04 — — US disclosed
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