SCHEMBL11217445

SCHEMBL11217445

CCN(CC)c1nc(C)nc2ocnc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPY5R Q15761 1/20 0.35
SLC29A1 Q99808 1/20 0.34
MAP2K7 O14733 1/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
PDGFRA P16234 1/20 0.33
EGFR P00533 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 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
SCHEMBL24954142 0.74
SCHEMBL10910728 0.68 SMN1; SMN2 (0.37) CRHR1SMN1; SMN2NPY5RSLC29A1MAP2K7
SCHEMBL9127003 0.65 SMN1; SMN2 (0.42) CRHR1HTTSMN1; SMN2NPY5RSLC29A1
SCHEMBL13764999 0.62 ALDH1A1 (0.36) CRHR1HTTSMN1; SMN2NPY5RMAP2K7
SCHEMBL14461779 0.61
SCHEMBL23937936 0.61 IDO1 (0.39) HTTSMN1; SMN2ALDH1A1
SCHEMBL10671138 0.61 SMN1; SMN2 (0.39) CRHR1HTTSMN1; SMN2NPY5RSLC29A1
SCHEMBL24649607 0.60 ACP1 (0.66) HTTSMN1; SMN2NPY5RPDGFRBKDR
SCHEMBL23176058 0.59
SCHEMBL9123231 0.58 SMN1; SMN2 (0.37) CRHR1HTTSMN1; SMN2NPY5RSLC29A1

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
JP-57035591-A None JP disclosed
JP-S5735591-A NOVEL PYRIMIDINE DERIVATIVE MOCHIDA PHARMACEUT CO LTD 1982-02-26 JP disclosed