SCHEMBL30552245

SCHEMBL30552245

COc1ccc(Cn2cnc3c(Cl)ccnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
NR3C1 P04150 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.50
SLC29A1 Q99808 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MET P08581 1/20 0.46
PDE8A O60658 1/20 0.46
CTSL P07711 2/20 0.45
YTHDC1 Q96MU7 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
NPY1R P25929 1/20 0.44
CNR2 P34972 2/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL20774516 1.00 HPGD (0.54) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL6950422 0.84 HPGD (0.52) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL1667447 0.83 HPGD (0.51) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL5465357 0.81 HPGD (0.64) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL30834262 0.79 ADORA2A (0.49) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL16774098 0.79 MEN1 (0.55) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL16774386 0.79 ADORA2A (0.49) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL30881405 0.78 L3MBTL1 (0.56) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL27244169 0.78 L3MBTL1 (0.56) HPGDNR3C1MEN1KMT2AL3MBTL1
SCHEMBL22533518 0.78 HDAC6 (0.41) MEN1KMT2AADORA2AHDAC1HDAC6

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-111448190-B Substituted indole compounds 百时美施贵宝公司 2023-09-26 CN disclosed