SCHEMBL14434749

SCHEMBL14434749

CCN(CC)c1ccc(/C=C/c2sc3ccc(C)cc3[n+]2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 15/20 0.76
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SNCA P37840 1/20 0.40

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
SCHEMBL14434821 0.86 INSR (1.00) INSRMAPTNPSR1NSD2POLB
Iodide SCHEMBL8388688 0.85 INSR (0.97) INSRMAPTNPSR1NSD2POLB
Iodide SCHEMBL8388691 0.85 INSR (0.97) INSRMAPTNPSR1NSD2POLB
SCHEMBL8386574 0.85 INSR (0.73) INSRBCHEACHEMAPTNPSR1
SCHEMBL8386579 0.85 INSR (0.73) INSRBCHEACHEMAPTNPSR1
SCHEMBL17835478 0.77 SNCA (0.58) INSRBCHEACHEMAPTPOLB
Hydrochloric Acid SCHEMBL39782 0.76 SNCA (0.59) INSRBCHEACHEMAPTNPSR1
Iodide SCHEMBL8387888 0.75 INSR (0.97) INSRBCHEMAPTNPSR1NSD2
Iodide SCHEMBL8387885 0.75 INSR (0.97) INSRBCHEMAPTNPSR1NSD2
SCHEMBL18159319 0.73 ALDH1A1 (0.61) BCHEACHEMAPTNPSR1POLB

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-2007090765-A2 HIGH CAPACITY OPTICAL STORAGE MEDIA COMPRISING ORGANOMETALLIC ION PAIRS CIBA HOLDING INC. (CH) 2007-08-16 — — WO disclosed
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