SCHEMBL27780815

SCHEMBL27780815

CCCN1c2cc(Cl)ccc2SC1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ MDM2 Q00987 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL27780820 0.72 ALDH1A1 (0.32) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1049587 0.71 GRIA1 (0.41) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL28094908 0.71 GRIA1 (0.39) KMT2AGRIA1GRIA2GRIA3GRIA4
SCHEMBL27859736 0.71 ALDH1A1 (0.47) MEN1KMT2AMDM2ALDH1A1LMNA
SCHEMBL10036142 0.67 MAPT (0.45) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL5694880 0.67 MAPT (0.45) MEN1KMT2ATP53ALDH1A1LMNA
SCHEMBL27609087 0.67 GSK3B (0.34) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL28250648 0.66 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30767224 0.65 GRIA1 (0.38) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL27034742 0.65 GRIA1 (0.38) MEN1KMT2AGRIA1GRIA2GRIA3

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-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 — — CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 — — CN disclosed
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