SCHEMBL3981587

SCHEMBL3981587

CCC(CC)(CN)Oc1ccc2c(c1)cc(-c1nn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 14/20 0.40
▸ SRD5A2 P31213 1/20 0.39
▸ NR1H3 Q13133 3/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ MAP2K4 P45985 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL3983579 0.95 NR1H2 (0.40) NR1H2SRD5A2NR1H3GHSRMAP2K4
SCHEMBL3920962 0.88 NR1H2 (0.45) NR1H2SRD5A2NR1H3GHSRMAP2K4
SCHEMBL3920773 0.87 NR1H2 (0.44) NR1H2SRD5A2NR1H3MAP2K4MEN1
SCHEMBL3931449 0.87 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL3921577 0.86 NR1H2 (0.45) NR1H2SRD5A2NR1H3MAP2K4MEN1
SCHEMBL3921277 0.85 NR1H2 (0.41) NR1H2SRD5A2NR1H3MAP2K4MEN1
SCHEMBL3920246 0.85 NR1H2 (0.41) NR1H2SRD5A2NR1H3MAP2K4MEN1
SCHEMBL3923257 0.85 NR1H2 (0.43) NR1H2SRD5A2NR1H3GHSRMEN1
SCHEMBL3918504 0.83 NR1H2 (0.44) NR1H2SRD5A2NR1H3MAP2K4TRPV3
Tert-Butanol SCHEMBL3920752 0.82 NR1H2 (0.42) NR1H2SRD5A2NR1H3MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 — — EP disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 — — WO disclosed
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