SCHEMBL28114852

SCHEMBL28114852

COc1cccc(Cn2cc(C(=O)O)c3cc(C(=O)N4CCOCC4)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
TP53 P04637 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MYC P01106 1/20 0.47
RAB9A P51151 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
BTK Q06187 1/20 0.47
PDE4B Q07343 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL28837064 0.88 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL28115348 0.86 L3MBTL1 (0.55) L3MBTL1MEN1KMT2ATP53ALDH1A1
SCHEMBL8356932 0.76 LMNA (0.73) ALDH1A1MAPTLMNAKDM4ERAB9A
SCHEMBL13762897 0.73 CHRM1 (0.77) TP53ALDH1A1MAPTLMNAKDM4E
SCHEMBL1994563 0.73 ADRA1D (0.54) TP53ALDH1A1MAPTLMNAPDE4B
SCHEMBL28114857 0.71 MYC (0.51) L3MBTL1KMT2ALMNARECQLMYC
SCHEMBL30589589 0.71 ALDH1A1 (0.57) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL13931038 0.70 NPSR1 (0.59) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL30589586 0.70 MAPT (0.55) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL27707835 0.69 MAPT (0.65) L3MBTL1MEN1KMT2ATP53ALDH1A1

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-106243012-A New indole analog derivative and preparation method thereof 北方民族大学 2016-12-21 CN disclosed