SCHEMBL7863634

SCHEMBL7863634

NCCCCn1cnc2ccc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
AKT3 Q9Y243 2/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 3/20 0.32
TK1 P04183 1/20 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
SLC29A1 Q99808 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
SCHEMBL31720305 0.83 FGFR1 (0.42) FGFR1FGFR4LMNASMN1; SMN2AKT1
SCHEMBL7869023 0.76 PRPS1 (0.51) MAPTHSD17B10LMNAALOX15TSHR
SCHEMBL4232433 0.75 MEN1 (0.46) MAPTHSD17B10LMNAALOX15TSHR
SCHEMBL30168571 0.73 DYRK1A (0.50) FGFR1FGFR4DYRK1ADPP4DPP8
SCHEMBL6770226 0.73 DYRK1A (0.50) FGFR1FGFR4DYRK1ADPP4DPP8
SCHEMBL18226830 0.71 GABRG2 (0.41) FGFR1FGFR4LMNATSHRMAPK13
SCHEMBL6176928 0.70 ADORA2A (0.44) FGFR1FGFR4MAPTLMNASMN1; SMN2
SCHEMBL8088090 0.70 MAPT (0.56) FGFR1MAPTHSD17B10LMNAALOX15
SCHEMBL6209132 0.70 ADORA2A (0.44) FGFR1FGFR4MAPTLMNASMN1; SMN2
SCHEMBL8088086 0.69 FDPS (0.48) MAPTHSD17B10LMNATSHRMAPK13

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