SCHEMBL9056775

SCHEMBL9056775

CSc1c(OOC(C)=O)ccc2c1[nH]c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.40
MPL P40238 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM1 P11309 1/20 0.39
KIF11 P52732 3/20 0.38
MAPT P10636 5/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL8801909 0.87 SLC22A6 (0.48) PARP14MPLPIM3PIM1KIF11
SCHEMBL8391232 0.79 MAPT (0.48) MPLMAPTMEN1KMT2AKDM4E
SCHEMBL8387263 0.73 KIF11 (0.47) PARP14MPLPIM3PIM1KIF11
SCHEMBL9056003 0.71 SLC22A6 (0.51) PARP14MPLPIM3PIM1KIF11
SCHEMBL8389286 0.71 MAPT (0.48) PARP14MPLPIM3PIM1KIF11
SCHEMBL9057701 0.70 HTT (0.49) KIF11MAPTMAPK1MEN1KMT2A
SCHEMBL4786156 0.69 SLC22A6 (0.55) PARP14MPLPIM3PIM1KIF11
SCHEMBL8388289 0.68 SLC22A6 (0.48) KIF11MAPTMEN1KMT2AKDM4E
SCHEMBL8803144 0.68 SLC22A6 (0.41) MAPTMAPK1MEN1KMT2AKDM4E
SCHEMBL8802131 0.67 SLC22A6 (0.40) KIF11MAPTMAPK1MEN1KMT2A

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