SCHEMBL25933907

SCHEMBL25933907

C=C/C=C1\N(C)c2ccccc2N1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL22739037 0.83 SMN1; SMN2 (0.42) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL13425441 0.75 MAOA (0.44) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL22739278 0.74 SMN1; SMN2 (0.38) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL30396025 0.70 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL5000976 0.70 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL31010621 0.67 SMN1; SMN2 (0.36) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL20027400 0.64 P2RX4 (0.36) —
SCHEMBL10623284 0.63 LMNA (0.50) SMN1; SMN2
SCHEMBL12043657 0.63 TTR (0.52) SMN1; SMN2
SCHEMBL11554112 0.63 SMN1; SMN2 (0.50) SMN1; SMN2CYP2D6CYP2C9

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
US-12018315-B2 Peptide nucleic acid functionalized hydrogel microneedles for sampling and detection of interstitial fluid nucleic acids MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-06-25 — — US disclosed
US-20230242969-A1 PEPTIDE NUCLEIC ACID FUNCTIONALIZED HYDROGEL MICRONEEDLES FOR SAMPLING AND DETECTION OF INTERSTITIAL FLUID NUCLEIC ACIDS HOWARD HUGHES MEDICAL INSTITUTE 2023-08-03 — — US disclosed
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