SCHEMBL28115348

SCHEMBL28115348

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ERN1 O75460 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.46
BCHE P06276 1/20 0.46
PDE4B Q07343 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 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
SCHEMBL28114852 0.86 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL28837064 0.82 L3MBTL1 (0.51) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL9733117 0.76 ALDH1A1 (0.67) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL31428978 0.75 ALDH1A1 (0.58) ERN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9584018 0.73 PLA2G2A (0.61) ALDH1A1LMNABCHE
SCHEMBL28530692 0.72 ABCC2 (0.60) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28477087 0.72 BCHE (0.55) ALDH1A1MAPTLMNASMN1; SMN2BCHE
SCHEMBL2161419 0.71 CNR2 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL28407940 0.70 BCHE (0.46) BCHE
SCHEMBL27707835 0.69 MAPT (0.65) L3MBTL1MEN1KMT2AALDH1A1MAPT

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