SCHEMBL8946705

SCHEMBL8946705

CC(=O)N1c2cc(N)ccc2C2Cc3ccc(N)cc3C21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.39
CREBBP Q92793 1/20 0.38
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
NOTUM Q6P988 2/20 0.35
FSHR P23945 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAD52 P43351 1/20 0.33
NR1H2 P55055 1/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 2/20 0.32
KMT2A Q03164 2/20 0.32
GFER P55789 2/20 0.32
ALOX15 P16050 1/20 0.32
YWHAG P61981 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHEK1 O14757 2/20 0.31
AURKA O14965 2/20 0.31
DAPK3 O43293 2/20 0.31

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
SCHEMBL8946692 1.00 HSD17B3 (0.39) HSD17B3CREBBPBRD4ATAD2NOTUM
SCHEMBL8946697 1.00 HSD17B3 (0.39) HSD17B3CREBBPBRD4ATAD2NOTUM
SCHEMBL8946434 0.83 HSD17B3 (0.44) HSD17B3CREBBPBRD4NOTUMFSHR
SCHEMBL8946666 0.77 MAPT (0.49) MAPTKDM4EHTTALDH1A1GAA
SCHEMBL8946662 0.77 MAPT (0.49) MAPTKDM4EHTTALDH1A1GAA
SCHEMBL5798751 0.73 NOTUM (0.62) HSD17B3BRD4ATAD2NOTUMMAPT
SCHEMBL7416927 0.67 NOTUM (0.62) HSD17B3NOTUMMAPTKDM4EMEN1
SCHEMBL8946587 0.65 KDM4E (0.49) CREBBPBRD4NOTUMMAPTKDM4E
SCHEMBL21172849 0.65 NOTUM (0.44) HSD17B3NOTUMTHRBKMT2A
SCHEMBL8946435 0.64 MAPT (0.47) CREBBPNOTUMMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed