SCHEMBL7985508

SCHEMBL7985508

CCC(=O)Nc1ncn(Cc2ccc(OC)c(OC)c2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CACNA1H O95180 1/20 0.42
MAPK10 P53779 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 2/20 0.41
ALPL P05186 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 2/20 0.40
ROCK2 O75116 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
QPCT Q16769 2/20 0.40
QPCTL Q9NXS2 2/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL7991814 0.89 HSP90AA1 (0.44) ALDH1A1HTTMAPK10LMNAMAPK1
SCHEMBL7992368 0.85 TP53 (0.47) MEN1KMT2A
SCHEMBL7986400 0.83 YTHDC1 (0.47) ALDH1A1HTTMAPK10LMNASMN1; SMN2
SCHEMBL7973987 0.83 FGFR1 (0.45) HTTLMNASMN1; SMN2KMT2A
SCHEMBL7987598 0.83 RIOK2 (0.41) ALDH1A1MAPK10SMN1; SMN2L3MBTL1MEN1
SCHEMBL7991565 0.82 TSHR (0.49) ALDH1A1HTTCYP1A2CYP3A4LMNA
SCHEMBL7987961 0.81 MAPT (0.47) ALDH1A1CYP1A2CYP3A4LMNAKMT2A
SCHEMBL7985495 0.81 CYP11B1 (0.39) CYP1A2CYP3A4LMNASMN1; SMN2MEN1
SCHEMBL7985670 0.80 CDK9 (0.42) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7974162 0.80 KDM4E (0.52) ALDH1A1HTTSMN1; SMN2L3MBTL1KMT2A

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