SCHEMBL8386579

SCHEMBL8386579

CCN(CC)c1ccc(C=Cc2sc3ccccc3[n+]2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 14/20 0.73
▸ BCHE P06276 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ NSD2 O96028 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ SNCA P37840 1/20 0.54

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
SCHEMBL8386574 1.00 INSR (0.73) INSRBCHEACHEMAPTNPSR1
SCHEMBL6128353 0.87 INSR (0.79) INSRMAPTNPSR1NSD2MAPK1
Iodide SCHEMBL7104931 0.86 INSR (0.77) INSRMAPTNPSR1NSD2MAPK1
Iodide SCHEMBL7104925 0.86 INSR (0.77) INSRMAPTNPSR1NSD2MAPK1
SCHEMBL13206628 0.86 INSR (0.68) INSRMAPTNPSR1NSD2POLB
SCHEMBL14434749 0.85 INSR (0.76) INSRBCHEACHEMAPTNPSR1
SCHEMBL14984211 0.85 INSR (1.00) INSRMAPTNPSR1NSD2POLB
Hydrochloric Acid SCHEMBL8386848 0.83 INSR (0.97) INSRMAPTNPSR1NSD2POLB
Iodide SCHEMBL8387880 0.83 INSR (0.97) INSRMAPTNPSR1NSD2POLB
Hydrochloric Acid SCHEMBL8386851 0.83 INSR (0.97) INSRMAPTNPSR1NSD2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001331-A INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1999-12-14 — — US claimed
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 — — WO claimed
US-6001331-A INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1999-12-14 — — US disclosed
WO-1997026919-A2 METHOD OF IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 1997-07-31 — — WO disclosed
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