SCHEMBL7700541

SCHEMBL7700541

COc1cccc(Oc2c(O)ncnc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 3/20 0.43
RET P07949 1/20 0.43
KIF5B P33176 1/20 0.43
KDR P35968 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 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
SCHEMBL7294631 0.79 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8326548 0.78 CA12 (0.50) ALDH1A1TSHRRETKIF5BKDR
SCHEMBL7302858 0.77 PKM (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4427054 0.76 EDNRB (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30053231 0.74 SMN1; SMN2 (0.72) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13167638 0.74 SMN1; SMN2 (0.72) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29929943 0.74 SMN1; SMN2 (0.72) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1061713 0.74 SMN1; SMN2 (0.72) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7979230 0.74 MAPT (0.58) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL12826224 0.74 ALDH1A1 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1

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
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed