SCHEMBL31320140

SCHEMBL31320140

Cc1nc(Nc2nc(C)c3ccc(OCCN4CCOCC4)cc3n2)[nH]c(=O)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.63
XBP1 P17861 1/20 0.63
CLK1 P49759 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP2 O95551 1/20 0.53
STAT3 P40763 3/20 0.48
MAOA P21397 1/20 0.48
AURKA O14965 2/20 0.45
CCR4 P51679 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ACHE P22303 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 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
SCHEMBL21964142 1.00 RAB9A (0.63) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL29992512 0.79 MAOA (0.55) RAB9AALDH1A1NPC1KMT2AMAOA
SCHEMBL19385517 0.78 MAPT (1.00) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28600044 0.74 MAPT (0.75) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28595390 0.74 MAPT (0.75) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL28600039 0.73 MAPT (0.74) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL22013244 0.72 ALDH1A1 (0.71) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL13841371 0.72 NPC1 (0.57) ALDH1A1NPC1KMT2AMAOACCR4
SCHEMBL21964225 0.71 MAPT (0.70) RAB9AALDH1A1NPC1LMNAKMT2A
SCHEMBL31320231 0.71 ALDH1A1 (0.70) RAB9AALDH1A1NPC1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226323-B Ma Dexin derivative compounds, compositions and uses thereof for the treatment of cancer 法国古士塔柏罗斯学院 2024-12-31 CN claimed
CN-113226323-B Ma Dexin derivative compounds, compositions and uses thereof for the treatment of cancer 法国古士塔柏罗斯学院 2024-12-31 CN disclosed