SCHEMBL31010621

SCHEMBL31010621

CC(C)N1C(=C=C2N(C)c3ccccc3N2C(C)C)N(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ TTR P02766 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ CACNA1B Q00975 1/20 0.30
▸ APBA1 Q02410 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
SCHEMBL13425441 0.81 MAOA (0.44) SMN1; SMN2CYP2D6CYP2C9MAOATTR
SCHEMBL12930149 0.80 MAOA (0.42) MAOATTRCES1KDM4EALDH1A1
SCHEMBL22739278 0.75 SMN1; SMN2 (0.38) SMN1; SMN2CYP2D6CYP2C9MAOATTR
SCHEMBL30396025 0.75 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9MAOAALDH1A1
SCHEMBL5000976 0.75 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6CYP2C9MAOAALDH1A1
SCHEMBL11554112 0.68 SMN1; SMN2 (0.50) SMN1; SMN2CYP2D6CYP2C9TTRCES1
SCHEMBL12043657 0.68 TTR (0.52) SMN1; SMN2TTRCES1KDM4EALDH1A1
SCHEMBL22739037 0.67 SMN1; SMN2 (0.42) SMN1; SMN2CYP2D6CYP2C9TTRCES1
SCHEMBL4571020 0.67 MAOA (0.60) MAOATTRCES1KDM4EALDH1A1
SCHEMBL13636983 0.67 — —

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
WO-2024168273-A1 STABLE LUMINESCENT AZABORAACENIUM IONS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-08-15 — — WO disclosed
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