SCHEMBL20041379

SCHEMBL20041379

CCCNc1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.71
▸ USP2 O75604 1/20 0.69
▸ CFTR P13569 1/20 0.69
▸ PAX8 Q06710 1/20 0.69
▸ ATM Q13315 1/20 0.69
▸ GOPC Q9HD26 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33

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
SCHEMBL12173205 0.93 ABCB1 (0.72) ABCB1USP2CFTRPAX8ATM
SCHEMBL13881098 0.89 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM
SCHEMBL12285238 0.88 ABCB1 (0.76) ABCB1USP2CFTRPAX8ATM
SCHEMBL15006531 0.87 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM
SCHEMBL20216438 0.85 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM
SCHEMBL10040697 0.85 ABCB1 (0.71) ABCB1USP2CFTRPAX8ATM
SCHEMBL16024743 0.84 ABCB1 (0.79) ABCB1USP2CFTRPAX8ATM
SCHEMBL10167878 0.84 ABCB1 (0.79) ABCB1USP2CFTRPAX8ATM
SCHEMBL20216437 0.84 ABCB1 (0.70) ABCB1USP2CFTRPAX8ATM
SCHEMBL268381 0.83 ABCB1 (1.00) ABCB1USP2CFTRPAX8ATM

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-2814496-B1 NANOPARTICLES FOR MITOCHONDRIAL TRAFFICKING OF AGENTS UNIV GEORGIA (US) 2018-04-11 — — EP disclosed
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