SCHEMBL7213591

SCHEMBL7213591

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
PDGFRB P09619 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
GSK3B P49841 3/20 0.34
CYP1A2 P05177 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
STK3 Q13188 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL15453209 0.86 GSK3B (0.40) SMN1; SMN2MEN1KMT2ARAB9AGSK3B
SCHEMBL7683895 0.85 MAPK1 (0.42) PDGFRBCYP1A2PIM1ALDH1A1
SCHEMBL7064321 0.84 IDH1 (0.39) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL6390531 0.80 IDO1 (0.47) SMN1; SMN2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL5500501 0.78 SMN1; SMN2 (0.38) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL14895111 0.78 LOXL2 (0.47) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL25610999 0.78 SMN1; SMN2 (0.38) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL12068347 0.78 GSK3B (0.49) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL1917870 0.78 ADORA3 (0.50) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A
SCHEMBL8723967 0.78 NOTUM (0.39) SMN1; SMN2PDGFRBMEN1KMT2ARAB9A

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