SCHEMBL13044029

SCHEMBL13044029

Cc1ccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ MAPK1 P28482 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPT P10636 11/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NR4A2 P43354 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ AIMP2 Q13155 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL13044632 0.88 MAPT (0.54) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL13044605 0.84 RAB9A (0.76) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL13044596 0.81 MAPT (0.54) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL13044622 0.80 RAB9A (0.72) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL13043206 0.79 MAPT (0.50) NPC1RAB9ACASP3SENP7MAPK1
SCHEMBL13043227 0.79 MAPT (0.52) NPC1RAB9ACASP3SENP7MAPK1
SCHEMBL13044620 0.78 RAB9A (0.62) NPC1RAB9ACASP3SENP7TP53
SCHEMBL1557644 0.78 ALDH1A1 (0.69) RAB9AMAPTALDH1A1LMNAMEN1
SCHEMBL13044616 0.76 RAB9A (0.68) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL3805482 0.75 RAB9A (0.67) NPC1RAB9ACASP3SENP7TP53

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
WO-2010139982-A1 INDOLE DERIVATIVES FOR THE STIMULATION OF STEM CELL PROLIFERATION THE UNIVERSITY OF SHEFFIELD (GB) 2010-12-09 — — WO disclosed
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