SCHEMBL13044616

SCHEMBL13044616

O=C(Nc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
NPC1 O15118 5/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
CASP3 P42574 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
POLB P06746 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
GFER P55789 1/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3805482 0.99 RAB9A (0.67) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11921539 0.85 RAB9A (0.61) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL2972738 0.82 CFTR (0.69) RAB9ANPC1HRH3MAPTALDH1A1
SCHEMBL32319858 0.82 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11903794 0.82 RAB9A (1.00) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL2974366 0.81 CFTR (0.67) RAB9ANPC1HRH3MAPTALDH1A1
SCHEMBL11924589 0.81 RAB9A (0.81) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8487489 0.80 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924468 0.80 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL11924527 0.80 RAB9A (0.79) RAB9ANPC1MEN1KMT2ACASP3

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