SCHEMBL13646918

SCHEMBL13646918

CCN1c2ccccc2SC1/C=C(/C)SC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.34
▸ MAPT P10636 6/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ USP2 O75604 3/20 0.33
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ IDE P14735 1/20 0.33
▸ ALDH1A1 P00352 7/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GSK3B P49841 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31

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
SCHEMBL6522037 0.84 PPARG (0.36) PPARGMAPTMEN1KMT2AUSP2
SCHEMBL6522033 0.84 PPARG (0.36) PPARGMAPTMEN1KMT2AUSP2
SCHEMBL6522028 0.84 PPARG (0.36) PPARGMAPTMEN1KMT2AUSP2
SCHEMBL11460156 0.81 BCHE (0.34) PPARGMAPTMEN1KMT2AUSP2
SCHEMBL28863165 0.76 ALDH1A1 (0.35) PPARGMAPTMEN1KMT2AALDH1A1
SCHEMBL6426503 0.74 MAPT (0.54) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL21126650 0.73 MAPT (0.34) PPARGMAPTMEN1KMT2AUSP2
Iodide SCHEMBL31607475 0.73 MAPT (0.53) MAPTMEN1KMT2AUSP2CRHBP
SCHEMBL514686 0.71 ALDH1A1 (0.35) PPARGMAPTALDH1A1HPGDHTT
SCHEMBL20717990 0.69 — —

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
EP-1627635-B1 Benzothiazolium compounds for use in methods of inhibiting NO production and TNF alpha and treating coronaviral infection NAT HEALTH RESEARCH INSTITUTES (TW) 2009-10-07 — — EP disclosed
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