SCHEMBL7213277

SCHEMBL7213277

O=C1c2ccccc2C(=O)N1CCCOc1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 2/20 0.69
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPC1 O15118 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
DRD3 P35462 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 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
SCHEMBL10527876 0.94 RAB9A (0.61) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL23742932 0.94 RAB9A (0.61) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL30105286 0.94 RAB9A (0.61) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL16056268 0.92 HPGD (0.68) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL6542880 0.89 RAB9A (0.65) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL10575170 0.87 RAB9A (0.57) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL7799815 0.84 RAB9A (0.57) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL1238260 0.84 RAB9A (0.57) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL7803998 0.83 RAB9A (0.56) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28986032 0.83 RAB9A (0.74) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed