SCHEMBL20429089

SCHEMBL20429089

CC(=O)N1CCCc2cc(-c3ccc(C(=O)NCCO)cn3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 9/20 0.52
▸ RORC P51449 2/20 0.49
▸ CYP11B1 P15538 7/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ TP53 P04637 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
SCHEMBL18871988 0.90 FYN (0.45) CYP11B2CYP11B1ALDH1A1LMNAFYN
SCHEMBL20429028 0.87 CYP11B2 (0.56) CYP11B2RORCCYP11B1ALDH1A1LMNA
SCHEMBL18871772 0.85 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1LMNAHPGD
SCHEMBL20429095 0.83 CYP11B2 (0.50) CYP11B2RORCCYP11B1ALDH1A1LMNA
SCHEMBL18871843 0.83 PDK1 (0.47) CYP11B2ALDH1A1FYN
SCHEMBL18872016 0.78 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18871844 0.78 CYP11B2 (0.51) CYP11B2RORCCYP11B1ALDH1A1LMNA
SCHEMBL18871773 0.78 CYP11B2 (0.54) CYP11B2RORCCYP11B1ALDH1A1HPGD
SCHEMBL20429019 0.76 CYP11B2 (0.47) CYP11B2RORCCYP11B1ALDH1A1LMNA
SCHEMBL18871784 0.76 TP53 (0.49) CYP11B2RORCCYP11B1ALDH1A1LMNA

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-3168213-B1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2018-08-01 — — EP disclosed
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