SCHEMBL13043206

SCHEMBL13043206

Cc1cccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HPGD P15428 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX12 P18054 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ AIMP2 Q13155 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
SCHEMBL13043227 0.83 MAPT (0.52) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13044029 0.79 NPC1 (0.56) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13043222 0.78 RAB9A (0.53) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL4029057 0.78 RAB9A (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13044596 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13044632 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13044616 0.73 RAB9A (0.68) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3805482 0.73 RAB9A (0.67) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL397852 0.71 CFTR (0.66) MAPTALDH1A1MEN1KMT2A
SCHEMBL29272923 0.70 MAPT (0.59) MAPTALDH1A1MEN1KMT2ARAB9A

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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