SCHEMBL16144029

SCHEMBL16144029

CCC[n+]1c(C=Cc2ccc(NC(=O)[C@H](C)N)cc2)sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 15/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ APP P05067 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MMP14 P50281 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
Iodide SCHEMBL1244938 0.99 INSR (0.50) INSRTAAR1MAPTAPPMEN1
Hydrochloric Acid SCHEMBL1243591 0.84 INSR (0.52) INSRTAAR1MAPTHTTPOLB
SCHEMBL17366641 0.74 CYP2D6 (0.54) INSRMAPTMEN1HTTKMT2A
Iodide SCHEMBL1243530 0.70 INSR (0.53) INSRTAAR1MAPTHTTPOLB
SCHEMBL1244922 0.70 ALOX5 (0.61) INSRTAAR1MAPTAPPMEN1
Iodide SCHEMBL8723044 0.70 INSR (0.69) INSRMAPTAPPMEN1HTT
Iodide SCHEMBL1245586 0.69 INSR (0.37) INSRAPPMEN1HTTKMT2A
SCHEMBL34468132 0.68 INSR (0.72) INSRMAPTAPPMEN1HTT
SCHEMBL1246538 0.68 ACHE (0.58) TAAR1MAPTMEN1HTTKMT2A
SCHEMBL13294091 0.68 INSR (0.42) INSRMAPTMEN1KMT2AALDH1A1

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-2459733-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP disclosed
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