SCHEMBL7987927

SCHEMBL7987927

COc1cc(Cn2cnc(N)c2C(N)=O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
POLB P06746 1/20 0.43
FYN P06241 2/20 0.43
DHFR P00374 2/20 0.42
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7987245 0.87 ROCK2 (0.47) FYNDHFRSMN1; SMN2ALDH1A1
SCHEMBL7991814 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1POLBKDM4ESMN1; SMN2
SCHEMBL7989347 0.80 CYP11B1 (0.44) ALDH1A1TSHRKMT2A
SCHEMBL7987441 0.79 MEN1 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL7985129 0.74 YTHDC1 (0.50)
SCHEMBL7988530 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1ALDH1A1CYP3A4TSHR
SCHEMBL7985719 0.74 GAA (0.41) KDM4ESMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL5483136 0.74 PKM (0.59) ALDH1A1TSHR
SCHEMBL7975372 0.73 ALDH1A1 (0.51) POLBSLC2A1SMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7987445 0.72 PKM (0.57) ALDH1A1TSHR

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