SCHEMBL18871995

SCHEMBL18871995

CC(=O)N1CCCc2cc(-c3ccc(CC(=O)NCCO)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.54
▸ ALDH1A1 P00352 7/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP11B1 P15538 4/20 0.45
▸ CYP11B2 P19099 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 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
SCHEMBL20429030 0.91 LMNA (0.53) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL18871987 0.90 LMNA (0.49) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL20429028 0.85 CYP11B2 (0.56) LMNAALDH1A1TP53TSHRL3MBTL1
SCHEMBL20429013 0.84 LMNA (0.48) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL18871770 0.83 CYP11B1 (0.54) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL26079790 0.80 ALDH1A1 (0.57) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL26079792 0.80 ALDH1A1 (0.57) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL20429095 0.79 CYP11B2 (0.50) LMNAALDH1A1TP53TSHRL3MBTL1
SCHEMBL20429088 0.78 SMN1; SMN2 (0.51) LMNAALDH1A1TP53MEN1KMT2A
SCHEMBL18871768 0.75 CYP11B1 (0.58) LMNAALDH1A1TP53MEN1KMT2A

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-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2017-05-17 — — EP disclosed
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