SCHEMBL28486186

SCHEMBL28486186

Cc1[nH]n(-c2ccc3ccccc3c2)c(=O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 1/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 6/20 0.42
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 5/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 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
SCHEMBL28473504 0.77 SMN1; SMN2 (0.51) GAAALDH1A1RAB9AALOX15KMT2A
SCHEMBL28480981 0.77 MEN1 (0.46) GAAALDH1A1RAB9AHSP90AA1ALOX15
SCHEMBL28477954 0.76 KAT8 (0.65) GAAKDM4EALKBH3
SCHEMBL28482422 0.74 RAB9A (0.50) GAAALDH1A1RAB9AALOX15KMT2A
SCHEMBL1562741 0.73 ALDH1A1 (0.59) GAAALDH1A1RAB9AHSP90AA1KMT2A
SCHEMBL28345334 0.73 MPI (0.64) GAAALDH1A1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL1114873 0.73 HSP90AA1 (0.46) GAAALDH1A1RAB9AHSP90AA1KMT2A
SCHEMBL11410044 0.73 TSHR (0.64) GAAALDH1A1RAB9AHSP90AA1KMT2A
SCHEMBL12660996 0.64 HSP90AA1 (0.55) GAAALDH1A1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL24445253 0.64 HTR3A (0.43) GAAALDH1A1RAB9AHSP90AA1KMT2A

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-109970752-B Synthesis method of chiral 4-spiro pyrazole compound 浙江工业大学 2020-11-13 CN disclosed