SCHEMBL455665

SCHEMBL455665

[CH2]CCCc1nc(-c2c[nH]c3ccccc23)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.51
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
THRB P10828 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
CLK1 P49759 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
MAP3K14 Q99558 1/20 0.45
HTT P42858 1/20 0.43

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
SCHEMBL5673498 0.76 SMN1; SMN2 (0.36) PDGFRBALDH1A1SMN1; SMN2MEN1KMT2A
Nortopsentin D SCHEMBL29489921 0.72 PDGFRB (0.62) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4398433 0.71 MAPT (0.62) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL13624863 0.71 PDGFRB (0.60) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3676456 0.71 SLC6A4 (0.63) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL25034150 0.70 TUBB4A (0.68) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL15064538 0.69 SMN1; SMN2 (0.43) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4861987 0.69 GSK3B (0.43) MAPTRAB9AGSK3BLMNACYP1A2
SCHEMBL4400158 0.68 PDGFRB (0.56) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL25034151 0.68 PDGFRB (1.00) PDGFRBMAPTALDH1A1SMN1; SMN2MEN1

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-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed