SCHEMBL4603054

SCHEMBL4603054

O=C(I)C(Cc1ccccc1)NI

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ MME P08473 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ FPR2 P25090 3/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL438206 0.86 MME (0.57) CYP1A2MMENPSR1FPR2NAALAD2
SCHEMBL7890615 0.86 MME (0.57) CYP1A2MMENPSR1FPR2NAALAD2
SCHEMBL436655 0.86 MME (0.57) CYP1A2MMENPSR1FPR2NAALAD2
SCHEMBL438205 0.86 MME (0.57) CYP1A2MMENPSR1FPR2NAALAD2
SCHEMBL26993397 0.83 EPHX1 (0.53) CYP1A2MMENPSR1ALPIPKM
SCHEMBL15866448 0.83 TAAR1 (0.50) CYP1A2MMENPSR1NPC1RAB9A
SCHEMBL29422128 0.81 KMT2A (0.43) FPR2MMP2
SCHEMBL22340052 0.81 CYP3A4 (0.41) CYP1A2MMP2MMP9
SCHEMBL29310627 0.81 CYP1A2 (0.46) CYP1A2MMENPSR1NPC1RAB9A
SCHEMBL21724950 0.80 ATM (0.61) RAB9AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915149-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS AEterna Zentaris GmbH (DE) 2008-04-30 — — EP claimed
WO-2007020013-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2007-02-22 — — WO claimed
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