SCHEMBL9811673

SCHEMBL9811673

NCCCCNC(=O)COc1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
PPARG P37231 3/20 0.76
NCOA2 Q15596 3/20 0.76
NCOA1 Q15788 3/20 0.76
NCOA3 Q9Y6Q9 3/20 0.76
NPSR1 Q6W5P4 1/20 0.76
NR2E3 Q9Y5X4 1/20 0.76
NCOR2 Q9Y618 1/20 0.76
RAB9A P51151 2/20 0.64
LMNA P02545 4/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 1/20 0.58
POLB P06746 4/20 0.54
HPGD P15428 1/20 0.54
PTPN7 P35236 1/20 0.54
LSS P48449 1/20 0.53
GALR3 O60755 1/20 0.52

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
SCHEMBL4733214 0.93 MEN1 (0.88) HTTMEN1KMT2APPARGNCOA2
SCHEMBL14517805 0.92 HTT (0.69) HTTMEN1KMT2APPARGNCOA2
SCHEMBL4738845 0.92 MEN1 (0.85) HTTMEN1KMT2APPARGNCOA2
SCHEMBL10724383 0.85 MEN1 (0.74) HTTMEN1KMT2APPARGNCOA2
SCHEMBL4737165 0.85 HTT (0.78) HTTMEN1KMT2APPARGNCOA2
SCHEMBL4734648 0.84 HTT (0.72) HTTMEN1KMT2APPARGNCOA2
SCHEMBL4737776 0.84 MEN1 (0.72) HTTMEN1KMT2APPARGNCOA2
SCHEMBL4735808 0.83 MEN1 (0.74) HTTMEN1KMT2APPARGNCOA2
SCHEMBL29177626 0.82 SMN1; SMN2 (0.63) HTTMEN1KMT2APPARGNCOA2
SCHEMBL8624077 0.82 MEN1 (0.78) HTTMEN1KMT2APPARGNCOA2

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-5064861-A ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS ROUSSEL UCLAF (FR) 1991-11-12 US disclosed