SCHEMBL18399006

SCHEMBL18399006

Cc1cc2cn[nH]c2cc1OC(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.46
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.43
ROCK2 O75116 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NEK2 P51955 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL18399147 0.89 AXL (0.38) MKNK1ROCK2AXLCYP3A4L3MBTL1
SCHEMBL18399106 0.88 TSHR (0.47) TSHRLMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL18399204 0.85 TDP1 (0.45) MKNK1TSHRGLAROCK2DYRK1A
SCHEMBL23779821 0.75 SMN1; SMN2 (0.61) TSHRROCK2DYRK1ACLK4STK17A
SCHEMBL20617830 0.70 AXL (0.67) MKNK1HSD17B10MAPTHTTALDH1A1
SCHEMBL21796931 0.70 ACACB (0.49) LMNAMAPTCYP3A4
SCHEMBL24511685 0.68 AXL (0.47) MKNK1ROCK2MAPK1HSD17B10SMN1; SMN2
SCHEMBL27814987 0.68 ALDH1A1 (0.65) TSHRGLALMNASMN1; SMN2MEN1
SCHEMBL20424141 0.68 KDM4E (0.48) MEN1MAPTKMT2AHTTTP53
SCHEMBL21796769 0.68 AXL (0.43) MKNK1ROCK2AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573980-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Management Limited (GB) 2019-12-04 EP disclosed
WO-2018137573-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137619-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137607-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
WO-2018137618-A1 COMPOUNDS FOR INHIBITING LRRK2 KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
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