SCHEMBL14747438

SCHEMBL14747438

C/C=C/c1sc2cc(S(=O)(=O)N3CCCCC3)ccc2[n+]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ VDR P11473 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ TSHR P16473 3/20 0.44
▸ MCOLN3 Q8TDD5 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL14706832 0.82 SNCA (0.48) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL1105806 0.82 SNCA (0.48) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL1105805 0.82 ALDH1A1 (0.50) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL14747441 0.79 ALDH1A1 (0.40) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL1105639 0.79 CYP1A2 (0.53) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL1105637 0.77 BCHE (0.48) ALDH1A1HPGDMAPTTSHRLMNA
SCHEMBL13686240 0.75 ALDH1A1 (0.41) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL13296969 0.73 ALDH1A1 (0.37) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL1105701 0.73 KDM4E (0.38) ALDH1A1HPGDMAPTVDRGFER
SCHEMBL13686241 0.72 MAPT (0.35) ALDH1A1HPGDMAPTVDRGFER

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-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
US-8389729-B2 Methods for detecting the presence, location or quantity of targets using novel dyes ENZO LIFE SCIENCES, INC. (US) 2013-03-05 — — US disclosed
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