SCHEMBL11516456

SCHEMBL11516456

Cc1sc2cc(N(C)C)ccc2[n+]1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.55
▸ SNCA P37840 2/20 0.55
▸ TNF P01375 1/20 0.55
▸ NOD1 Q9Y239 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ BCHE P06276 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ INSR P06213 12/20 0.50
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL11515558 0.77 MAPT (0.58) APPSNCATNFNOD1POLB
Iodide SCHEMBL31063723 0.76 MAPT (0.61) APPSNCATNFNOD1POLB
SCHEMBL11516326 0.74 MAPT (0.45) APPSNCATNFNOD1POLB
SCHEMBL14984268 0.73 INSR (0.82) POLBRAB9AMEN1KMT2AINSR
Hydrochloric Acid SCHEMBL11515189 0.73 INSR (0.59) APPSNCATNFNOD1POLB
Hydrochloric Acid SCHEMBL11515186 0.73 INSR (0.59) APPSNCATNFNOD1POLB
Iodide SCHEMBL31063860 0.73 MAPT (0.47) APPSNCATNFNOD1POLB
SCHEMBL1105775 0.72 KDM4E (0.42) APPSNCATNFNOD1POLB
SCHEMBL13652077 0.71 MAPT (0.73) SNCAPOLBMEN1KMT2AINSR
SCHEMBL6658511 0.71 KDM4E (0.42) APPSNCATNFNOD1POLB

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
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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