SCHEMBL28803116

SCHEMBL28803116

Cc1ncnn1CCCc1csc(NC(=O)Nc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ HTT P42858 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 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
SCHEMBL10084544 0.77 LMNA (0.71) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL1514657 0.74 LMNA (0.67) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17935541 0.73 LMNA (0.60) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17935512 0.72 LMNA (0.79) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17925445 0.71 LMNA (0.53) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17935540 0.71 LMNA (0.57) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL17925446 0.71 LMNA (0.54) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL28803056 0.70 — —
SCHEMBL17925437 0.70 KMT2A (0.63) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL18236206 0.70 RAB9A (0.74) LMNATP53MEN1KMT2ASMN1; SMN2

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-114805334-B QC and GSK-3 beta multi-targeting inhibitor and preparation method and application thereof 深圳大学 2023-06-09 — — CN disclosed
CN-114805334-A QC and GSK-3 beta multi-target inhibitor and preparation method and application thereof 深圳大学 2022-07-29 — — CN disclosed
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