SCHEMBL13044596

SCHEMBL13044596

O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NHERF1 O14745 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GABRP O00591 2/20 0.48
▸ GABRD O14764 2/20 0.48
▸ GABRA1 P14867 2/20 0.48
▸ GABRB1 P18505 2/20 0.48
▸ GABRG2 P18507 2/20 0.48
▸ GABRB3 P28472 2/20 0.48
▸ GABRA5 P31644 2/20 0.48
▸ GABRA3 P34903 2/20 0.48
▸ GABRA2 P47869 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ GABRA4 P48169 2/20 0.48
▸ GABRE P78334 2/20 0.48
▸ GABRA6 Q16445 2/20 0.48
▸ GABRG1 Q8N1C3 2/20 0.48
▸ GABRG3 Q99928 2/20 0.48
▸ GABRQ Q9UN88 2/20 0.48

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 0.92 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3791923 0.84 NHERF1 (0.63) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL13044029 0.81 NPC1 (0.56) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL11924504 0.81 GABRP (0.69) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL13043190 0.80 NPC1 (0.69) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL13043507 0.80 NPC1 (0.71) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL11924916 0.77 GABRP (0.71) NHERF1GABRPGABRDGABRA1GABRB1
SCHEMBL13044046 0.76 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL13044616 0.76 RAB9A (0.68) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL13043227 0.75 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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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