SCHEMBL7064321

SCHEMBL7064321

C=CCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.39
HPGD P15428 4/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
PDGFRB P09619 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
GSK3B P49841 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7213591 0.84 SMN1; SMN2 (0.39) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL7067440 0.84 MAPK1 (0.41) ALDH1A1SMN1; SMN2PDGFRBMAPK1
SCHEMBL1267770 0.83 HPGD (0.39) IDH1HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL5500501 0.81 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5673498 0.79 SMN1; SMN2 (0.36) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1917870 0.78 ADORA3 (0.50) HPGDALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL12068347 0.78 GSK3B (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL25610999 0.78 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8723967 0.78 NOTUM (0.39) SMN1; SMN2KDM4EMEN1KMT2ARAB9A
SCHEMBL14895111 0.78 LOXL2 (0.47) HPGDALDH1A1SMN1; SMN2KDM4EMEN1

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
WO-2003047601-A1 NOVEL 11-O-SUBSTITUTED KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
WO-2003047600-A1 11-O-SUBSTITUTED MACROLIDES AND THEIR DESCLADINOSE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed