SCHEMBL8904584

SCHEMBL8904584

CCC(=O)C(=O)N1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.63
POLB P06746 1/20 0.61
TSHR P16473 3/20 0.61
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 1/20 0.54
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL9278163 0.91 SMN1; SMN2 (0.73) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL5492978 0.84 SMN1; SMN2 (0.79) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL5006023 0.83 TSHR (0.75) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL19041416 0.83 ALDH1A1 (0.75) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL8904589 0.80 ALDH1A1 (0.65) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL8904562 0.79 SLC22A12 (0.52) NOTUMPOLBTSHRALDH1A1HPGD
SCHEMBL5360548 0.79 NOTUM (0.70) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL13041447 0.78 TSHR (0.67) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL14608503 0.78 SMN1; SMN2 (0.64) NOTUMPOLBTSHRALDH1A1SMN1; SMN2
SCHEMBL9394780 0.78 SMN1; SMN2 (0.64) NOTUMPOLBTSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed