SCHEMBL10143752

SCHEMBL10143752

COc1ccc(S(=O)(=O)Nc2nc(Cl)cc(N3CCCCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GALR2 O43603 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL10143551 0.80 GALR2 (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10143394 0.80 GALR2 (0.67) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24309298 0.76 LMNA (0.56) TP53ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL10143440 0.75 KMT2A (0.54) TP53ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL24309295 0.73 TSHR (0.47) TP53ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10143452 0.72 KMT2A (0.56) TP53ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL10143454 0.71 KMT2A (0.60) TP53ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL10143753 0.70 KDM4E (0.55) SMN1; SMN2MAPTMEN1KMT2AGALR2
SCHEMBL23221586 0.70 GALR2 (0.57) GALR2SLC2A1
SCHEMBL24309543 0.70 HPGD (0.58) TP53ALDH1A1SMN1; SMN2MAPTMEN1

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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