SCHEMBL9869337

SCHEMBL9869337

CCc1ncnc(NC(CC)c2ccc(OCCC(C)C)cc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.36
SLC2A1 P11166 2/20 0.36
EGFR P00533 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 1/20 0.34
CRHR1 P34998 1/20 0.34
FAAH O00519 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR88 Q9GZN0 1/20 0.33

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
SCHEMBL9524682 0.87 EGFR (0.36) SLC2A1EGFRACACBCRHR1FAAH
SCHEMBL9524273 0.83 EGFR (0.36) SLC2A1EGFRACACBCRHR1GPR88
SCHEMBL9775791 0.82 EGFR (0.36) EGFRACACBCRHR1
SCHEMBL9193841 0.82 CRHR1 (0.39) EGFRSMN1; SMN2CRHR1MEN1KMT2A
SCHEMBL9523756 0.82 CRHR1 (0.39) EGFRACACBCRHR1
SCHEMBL9524384 0.81 EGFR (0.36) EGFRACACBCRHR1
SCHEMBL9523153 0.81 GPR88 (0.39) EGFRACACBGPR88
SCHEMBL9526898 0.81 RPS6KB1 (0.39) EGFRACACBFAAH
SCHEMBL9524057 0.81 EGFR (0.36) EGFRACACBCRHR1
SCHEMBL9084666 0.81 PTGER4 (0.40) EGFRCRHR1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US claimed
JP-1068362-A None JP disclosed
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed