SCHEMBL7984455

SCHEMBL7984455

COc1cccc(Cn2cnc(NC(=O)c3cccnc3)c2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ROCK2 O75116 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
POLB P06746 1/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7985340 0.90 NTRK1 (0.51) ABCB1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7992620 0.86 NPC1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ASIRT2
SCHEMBL7984937 0.86 ADORA3 (0.52) ABCB1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7984889 0.83 NPC1 (0.46) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL7992368 0.82 TP53 (0.47) MEN1KMT2APOLBMAPT
SCHEMBL7974555 0.81 HDAC1 (0.45) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL7988637 0.81 NPC1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL7984257 0.80 RAB9A (0.48) SMN1; SMN2ALDH1A1MEN1KMT2ASIRT2
SCHEMBL7974265 0.80 MCHR1 (0.47) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL7988231 0.79 NPC1 (0.47) KMT2ANPC1HSD17B10

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