SCHEMBL18399136

SCHEMBL18399136

COc1nc(Cl)cc(OC(=O)N2CCNCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH4 Q9H3N8 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL18399057 0.86 LMNA (0.35) LMNATDP1HRH4LRRK2PKM
SCHEMBL23851488 0.74 ALDH1A1 (0.48) LMNATDP1HRH4SMN1; SMN2ALDH1A1
SCHEMBL30595880 0.74 REN (0.44) HRH4POLB
SCHEMBL30422104 0.74 CFTR (0.39) —
SCHEMBL23852693 0.72 BPTF (0.46) LMNAHRH4SMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL18399115 0.72 HRH4 (0.37) LMNAHRH4SMN1; SMN2TSHRMAPT
SCHEMBL23850969 0.71 RXFP1 (0.39) LMNAHRH4SMN1; SMN2ALDH1A1TSHR
SCHEMBL30826926 0.70 KDM4E (0.45) TDP1TSHRPOLBKMT2A
SCHEMBL25300556 0.69 HTR3E (0.55) LMNAHRH4SMN1; SMN2ALDH1A1TSHR
SCHEMBL18399312 0.69 REN (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 — — EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — WO disclosed
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