SCHEMBL14434821

SCHEMBL14434821

Cc1ccc2sc(/C=C/c3ccc(N(C)C)cc3)[n+](C)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 18/20 1.00
▸ NSD2 O96028 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TNF P01375 1/20 0.47
▸ APP P05067 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47

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
Iodide SCHEMBL8388691 0.99 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8388688 0.99 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8387885 0.88 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8387888 0.88 INSR (0.97) INSRNSD2POLBMAPTMAPK1
SCHEMBL14434749 0.86 INSR (0.76) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8388976 0.85 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8388980 0.85 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8386563 0.85 INSR (0.97) INSRNSD2POLBMAPTMAPK1
Iodide SCHEMBL8386565 0.85 INSR (0.97) INSRNSD2POLBMAPTMAPK1
SCHEMBL14984211 0.83 INSR (1.00) INSRNSD2POLBMAPTMAPK1

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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