SCHEMBL20180657

SCHEMBL20180657

CCC(C)C(C)n1ccc(N)nc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.34
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.33
MTOR P42345 1/20 0.33
MDM2 Q00987 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MCHR1 Q99705 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
PDE3A Q14432 3/20 0.32
CACNA1F O60840 2/20 0.32
ALB P02768 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
HTR2A P28223 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC29A1 Q99808 1/20 0.32
SLC2A1 P11166 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
SCHEMBL22779434 0.83 JAK2 (0.36) FGFR1LMNATHRBMTORMDM2
SCHEMBL20156720 0.83 FGFR1 (0.34) FGFR1LMNATHRBMTORMDM2
SCHEMBL20978401 0.82 FGFR1 (0.32) FGFR1LMNATHRBMTORMDM2
SCHEMBL20404869 0.81 DHFR (0.41) FGFR1LMNATHRBMTORMDM2
SCHEMBL20806276 0.80 FGFR1 (0.33) FGFR1LMNATHRBMTORMDM2
SCHEMBL24420602 0.80 FGFR1 (0.33) FGFR1SLC22A6
SCHEMBL784164 0.79 ADORA2A (0.36) FGFR1LMNATHRBMTORMDM2
SCHEMBL8840757 0.78 FGFR1 (0.35) FGFR1LMNATHRBMTORMDM2
SCHEMBL23352431 0.77 FGFR1 (0.32) FGFR1LMNATHRBMTORMDM2
SCHEMBL19597942 0.76 LMNA (0.35) FGFR1LMNATHRBMTORMDM2

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-2022099055-A1 TEMPLATE ASSEMBLY BY PROXIMITY-ENHANCED REACTIVITY VIA METABOLIC LABELING THE GENERAL HOSPITAL CORPORATION (US) 2022-05-12 WO disclosed
US-20180142107-A1 SURFACE COATING COMPOSITION STO SE & CO. KGAA (DE) 2018-05-24 US disclosed