SCHEMBL7974087

SCHEMBL7974087

CCC(=O)Nc1ncn(CCN2CCOCC2)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
TSHR P16473 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL7974248 0.76 SMN1; SMN2 (0.41) SMN1; SMN2GAAKDM4EMAPK1ALDH1A1
SCHEMBL7987930 0.76 KMT2A (0.57) SMN1; SMN2KDM4EHTTRAB9AALDH1A1
SCHEMBL7974138 0.74 KMT2A (0.52) SMN1; SMN2GAAKDM4EHTTRAB9A
SCHEMBL7987837 0.73 RECQL (0.47) SMN1; SMN2GAAKDM4EHTTMAPK1
SCHEMBL7991565 0.72 TSHR (0.49) SMN1; SMN2GAAKDM4EHTTMAPK1
SCHEMBL7985495 0.71 CYP11B1 (0.39) SMN1; SMN2RAB9AJAK2LMNATSHR
SCHEMBL7984433 0.70 SMN1; SMN2 (0.47) AURKASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL7987938 0.69 KDM4E (0.44) KDM4ERAB9AALDH1A1LMNA
SCHEMBL7988641 0.69 KMT2A (0.44) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL7974324 0.68 TNF (0.44) SMN1; SMN2KDM4EHTTRAB9AALDH1A1

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed