SCHEMBL13044632

SCHEMBL13044632

O=C(Nc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ AVPR1A P37288 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL13044596 0.92 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13044029 0.88 NPC1 (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13044035 0.84 RAB9A (0.58) MEN1KMT2ANPC1RAB9ANR4A2
SCHEMBL13043196 0.82 RAB9A (0.51) MEN1KMT2ANPC1RAB9ANR4A2
SCHEMBL13044607 0.81 GABRP (0.56) MEN1KMT2ANPC1RAB9ANR4A2
SCHEMBL13043506 0.80 RAB9A (0.71) MEN1KMT2ANPC1RAB9ANR4A2
SCHEMBL13044046 0.78 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1558891 0.78 ALDH1A1 (0.69) MAPTALDH1A1KMT2ALMNANR4A2
SCHEMBL13044443 0.78 RAB9A (0.46) MEN1KMT2ANPC1RAB9ANR4A2
SCHEMBL13044604 0.77 NR4A2 (0.60) MAPTMEN1KMT2ANPC1RAB9A

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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