SCHEMBL9026324

SCHEMBL9026324

CCOC(=O)c1cccc2[nH]cc(Cc3nc(OCc4ccccc4)c(CC(C)C)[n+]([O-])c3OC)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL27257386 0.86 JAK2 (0.39) JAK2JAK3GABRA1GABRB1GABRA3
SCHEMBL9026147 0.82 KMT2A (0.40) MEN1KMT2AL3MBTL1KDM4EMMP2
SCHEMBL9027482 0.79 PCSK9 (0.38) SMN1; SMN2MEN1HSP90AA1KMT2AKDM4E
SCHEMBL9027221 0.78 PDE10A (0.36) SMN1; SMN2MEN1HSP90AA1KMT2AKDM4E
SCHEMBL9026863 0.78 CLEC4M (0.34) GABRA1GABRB1GABRA3GABRB2MEN1
SCHEMBL27258448 0.78 LMNA (0.39) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL9025363 0.77 LTA4H (0.46) MEN1HSP90AA1KMT2AKDM4EMMP2
SCHEMBL9026402 0.77 GPR84 (0.45) MEN1HSP90AA1KMT2AKDM4ETRPM8
SCHEMBL9026638 0.75 KMT2A (0.39) MEN1KMT2AL3MBTL1KDM4EMMP2
SCHEMBL9026084 0.75 KCNA5 (0.38) MEN1KMT2AIL1RNERAP2ERAP1

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
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed