SCHEMBL7515600

SCHEMBL7515600

Nc1cc(C(=O)O)ccc1CN(CCc1ccccc1)C(=S)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL7514528 0.83 SMN1; SMN2 (0.43) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL6383755 0.74 MEN1 (0.48) ALDH1A1GAARAB9AHDAC1HDAC6
SCHEMBL7513366 0.72 CA1 (0.52) ALDH1A1GAARAB9AHDAC1HDAC2
SCHEMBL7515595 0.71 SLC6A5 (0.44) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL6655287 0.70 SLC7A5 (0.45) HDAC3HDAC1HDAC2HDAC6HTT
SCHEMBL6376540 0.69 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6L3MBTL1
SCHEMBL6383753 0.68 HDAC1 (0.57) ALDH1A1GAAHDAC3HDAC4HDAC1
SCHEMBL7515603 0.68 ALDH1A1 (0.47) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL3190624 0.67 ALDH1A1 (0.69) ALDH1A1GAAHTTSMN1; SMN2NPSR1
SCHEMBL7993941 0.66 GAA (0.65) ALDH1A1GAARAB9AHDAC3HDAC1

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
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed