SCHEMBL13043227

SCHEMBL13043227

Cc1cccc2c(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SETD2 Q9BYW2 2/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL13043206 0.83 MAPT (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13043225 0.82 RAB9A (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13044029 0.79 NPC1 (0.56) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13044442 0.78 NR4A2 (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13044596 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13044632 0.75 MAPT (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL22754851 0.74 RAB9A (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13044616 0.73 RAB9A (0.68) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL13043185 0.73 RAB9A (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL3805482 0.73 RAB9A (0.67) MAPTALDH1A1MEN1KMT2ANPC1

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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