SCHEMBL9843261

SCHEMBL9843261

CCn1c(CCCCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 12/20 0.41
TPH2 Q8IWU9 12/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
EEF2K O00418 1/20 0.36

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
SCHEMBL5093687 0.76 HPGD (0.54) POLBSMN1; SMN2ALDH1A1USP2
SCHEMBL9298051 0.75 ALDH1A1 (0.47) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL7320101 0.74 MEN1 (0.52) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL9171903 0.72 MAPT (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9842637 0.72 MAPK1 (0.52) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL1822005 0.72 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL9842711 0.71 MEN1 (0.49) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL9394689 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL10394883 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL6885101 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430025-A2 Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-06-05 EP claimed