SCHEMBL9057701

SCHEMBL9057701

CSc1c(OC(C)=O)cc(C)c2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
GSK3B P49841 2/20 0.41
ADK P55263 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.36
TUBB4A P04350 4/20 0.36
TUBB P07437 4/20 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
SCHEMBL8803144 0.85 SLC22A6 (0.41) HTTMAPTMEN1KMT2ASLC22A6
SCHEMBL8802131 0.84 SLC22A6 (0.40) HTTMAPTMEN1KMT2ASLC22A6
SCHEMBL8801465 0.83 SLC22A6 (0.40) HTTMAPTSLC22A6GSK3BADK
SCHEMBL8801909 0.80 SLC22A6 (0.48) HTTMAPTMEN1KMT2ASLC22A6
SCHEMBL8388289 0.77 SLC22A6 (0.48) HTTMAPTMEN1KMT2ASLC22A6
SCHEMBL8390363 0.76 MAPT (0.47) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL9056823 0.72 KDM4E (0.46) HTTMAPTMEN1KMT2ASLC22A6
SCHEMBL9055605 0.72 KDM4E (0.35) MAPTKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL9055602 0.71 GABRP (0.35) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL21479880 0.71 GSK3B (0.49) HTTMAPTMEN1KMT2ASLC22A6

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-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed