SCHEMBL31053285

SCHEMBL31053285

CCOC(=O)c1ccnc2cc(Br)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NUDT1 P36639 1/20 0.52
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
LMNA P02545 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
ATM Q13315 2/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL31510551 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NUDT1MAPK1GAA
SCHEMBL7365268 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NUDT1MAPK1GAA
SCHEMBL9417304 0.84 NUDT1 (0.53) ALDH1A1NUDT1LMNAMAPTKMT2A
SCHEMBL30717956 0.84 L3MBTL1 (0.51) ALDH1A1GAALMNAMAPTTSHR
SCHEMBL1998421 0.84 L3MBTL1 (0.51) ALDH1A1GAALMNAMAPTTSHR
SCHEMBL30747811 0.83 TSHR (0.54) ALDH1A1SMN1; SMN2NUDT1GAANPSR1
SCHEMBL18320587 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1GAARXFP1
SCHEMBL11655571 0.82 KDM4E (0.55) ALDH1A1SMN1; SMN2NUDT1MAPK1GAA
SCHEMBL2723624 0.81 MAPK1 (0.57) ALDH1A1SMN1; SMN2MAPK1GAARXFP1
SCHEMBL2723785 0.80 GAA (0.57) ALDH1A1SMN1; SMN2MAPK1GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496142-A Aryl alkylamine compound and preparation method and application thereof 仁合益康集团有限公司 2024-08-16 CN disclosed