SCHEMBL13044035

SCHEMBL13044035

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NR4A2 P43354 1/20 0.58
▸ CASP3 P42574 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ GABRP O00591 4/20 0.51
▸ GABRD O14764 4/20 0.51
▸ GABRA1 P14867 4/20 0.51
▸ GABRB1 P18505 4/20 0.51
▸ GABRG2 P18507 4/20 0.51
▸ GABRB3 P28472 4/20 0.51
▸ GABRA5 P31644 4/20 0.51
▸ GABRA3 P34903 4/20 0.51
▸ GABRA2 P47869 4/20 0.51
▸ GABRB2 P47870 4/20 0.51
▸ GABRA4 P48169 4/20 0.51
▸ GABRE P78334 4/20 0.51
▸ GABRA6 Q16445 4/20 0.51

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
SCHEMBL13044607 0.93 GABRP (0.56) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13043506 0.92 RAB9A (0.71) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13044604 0.89 NR4A2 (0.60) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL3791923 0.89 NHERF1 (0.63) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13043196 0.87 RAB9A (0.51) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13044600 0.86 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL13044632 0.84 MAPT (0.54) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13044584 0.84 RAB9A (0.53) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL11924504 0.83 GABRP (0.69) RAB9ANPC1MEN1KMT2ANR4A2
SCHEMBL13044443 0.82 RAB9A (0.46) RAB9ANPC1MEN1KMT2ANR4A2

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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