SCHEMBL13044607

SCHEMBL13044607

O=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.56
▸ GABRD O14764 3/20 0.56
▸ GABRA1 P14867 3/20 0.56
▸ GABRB1 P18505 3/20 0.56
▸ GABRG2 P18507 3/20 0.56
▸ GABRB3 P28472 3/20 0.56
▸ GABRA5 P31644 3/20 0.56
▸ GABRA3 P34903 3/20 0.56
▸ GABRA2 P47869 3/20 0.56
▸ GABRB2 P47870 3/20 0.56
▸ GABRA4 P48169 3/20 0.56
▸ GABRE P78334 3/20 0.56
▸ GABRA6 Q16445 3/20 0.56
▸ GABRG1 Q8N1C3 3/20 0.56
▸ GABRG3 Q99928 3/20 0.56
▸ GABRQ Q9UN88 3/20 0.56
▸ RAB9A P51151 5/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ NR4A2 P43354 1/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL13044035 0.93 RAB9A (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11924504 0.90 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13043506 0.88 RAB9A (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13044604 0.85 NR4A2 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13043196 0.83 RAB9A (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3791923 0.83 NHERF1 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11924589 0.81 RAB9A (0.81) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13044632 0.81 MAPT (0.54) RAB9ANPC1NR4A2MEN1KMT2A
SCHEMBL13044584 0.81 RAB9A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13043512 0.81 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2

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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