SCHEMBL28693105

SCHEMBL28693105

CCC(=O)c1ccccc1-c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTB4R2 Q9NPC1 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PRKCZ Q05513 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38

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
SCHEMBL3420505 0.85 BCAT2 (0.57) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2
SCHEMBL30505632 0.85 BCAT2 (0.57) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2
SCHEMBL9125028 0.84 HSP90AB1 (0.49) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2
SCHEMBL9542216 0.84 L3MBTL1 (0.46) BCAT2SMN1; SMN2GAARAB9AMAPT
SCHEMBL27539512 0.84 BCAT2 (0.55) BCAT2SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL27627678 0.83 LTB4R2 (0.47) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2
SCHEMBL27628186 0.83 SLC6A4 (0.61) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2
SCHEMBL28116436 0.83 LTB4R2 (0.49) SMN1; SMN2RAB9AMAPTL3MBTL1LTB4R2
SCHEMBL847199 0.83 SLC6A3 (0.59) BCAT2SMN1; SMN2RAB9AMAPTL3MBTL1
SCHEMBL7536487 0.83 SLC6A4 (0.61) BCAT2SMN1; SMN2MAPTL3MBTL1LTB4R2

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
CN-114031817-B COFs modified ammonium polyphosphate flame retardant, preparation method and application thereof, and flame-retardant epoxy resin 河北大学 2023-07-21 CN disclosed
CN-114031817-A COFs modified ammonium polyphosphate flame retardant, preparation method and application thereof, and flame-retardant epoxy resin 河北大学 2022-02-11 CN disclosed
CN-1703403-A Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed