SCHEMBL11023219

SCHEMBL11023219

N#CC1CC(=O)Nc2nc(Br)c3ccccc3c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ IDO1 P14902 4/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL10527585 0.84 CCNB2 (0.35) TP53MAPTPOLBBRD4DDB1
SCHEMBL10923242 0.79 NPSR1 (0.36) TP53MAPTPOLBALDH1A1BRD4
SCHEMBL10921844 0.79 ACP1 (0.34) TP53MAPTALDH1A1BRD4CREBBP
SCHEMBL10919300 0.79 TP53 (0.39) TP53MAPTPOLBIDO1SIRT2
SCHEMBL10919995 0.77 CREBBP (0.41) TP53MAPTPOLBIDO1SIRT2
SCHEMBL10921258 0.72 KDM4E (0.36) TP53MAPTPOLBALDH1A1BRD4
SCHEMBL10919563 0.66 CRBN (0.38) MAPTALDH1A1DDB1CRBNHSD17B10
SCHEMBL28230957 0.64 ALDH1A1 (0.53) TP53IDO1ALDH1A1BRD4CREBBP
SCHEMBL29959887 0.64 ALDH1A1 (0.53) TP53IDO1ALDH1A1BRD4CREBBP
SCHEMBL10525166 0.64 CCNB2 (0.37) TP53MAPTPOLBDDB1CRBN

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-0167045-A1 Benzo[c][1,8]naphthyridines, process for their preparation and their use, and compositions containing these compounds Beiersdorf Aktiengesellschaft (DE) 1986-01-08 — — EP disclosed
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