SCHEMBL7869023

SCHEMBL7869023

NCCCCn1cnc2nc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 4/20 0.51
MAPT P10636 4/20 0.39
HSD17B10 Q99714 1/20 0.39
LTA4H P09960 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HASPIN Q8TF76 3/20 0.32
DYRK2 Q92630 3/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.30
STAT3 P40763 1/20 0.30
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7863634 0.76 FGFR1 (0.40) PRPS1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL21733156 0.76 PRPS1 (0.44) PRPS1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL4863437 0.75 LTA4H (0.49) MAPTHSD17B10LTA4HSMN1; SMN2LMNA
SCHEMBL23529932 0.73 PRPS1 (0.41) PRPS1MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL29492199 0.73 PRPS1 (0.41) PRPS1MAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL8088090 0.73 MAPT (0.56) PRPS1MAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL11250423 0.70 LTA4H (0.50) MAPTHSD17B10LTA4HSMN1; SMN2LMNA
SCHEMBL23227792 0.69 PRPS1 (1.00) PRPS1
SCHEMBL6851027 0.68 TDP1 (0.70) MAPTHSD17B10SMN1; SMN2LMNAALOX15
Hydrochloric Acid SCHEMBL20471683 0.68 PRPS1 (0.98) PRPS1

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
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed