SCHEMBL9682007

SCHEMBL9682007

Cc1ccc2nc(OCC(=O)N(OCc3ccccc3)C(C)C)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
XDH P47989 1/20 0.41
NLRP3 Q96P20 1/20 0.41
CETP P11597 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ELANE P08246 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 2/20 0.35

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
SCHEMBL9681745 0.92 XDH (0.41) XDHCETPMAPTTP53SMN1; SMN2
SCHEMBL9408698 0.89 XDH (0.40) XDHNLRP3CETPMAPTTP53
SCHEMBL9682057 0.89 ELANE (0.42) XDHELANE
SCHEMBL9682723 0.87 TLR4 (0.39) TLR4XDHNLRP3CETPMAPT
SCHEMBL2538918 0.76 KDM4E (0.52) TLR4XDHNLRP3CETPMAPT
SCHEMBL9680790 0.75 ELANE (0.40) XDHELANE
SCHEMBL9403541 0.73 MEN1 (0.48) XDHCETPMAPTTP53SMN1; SMN2
SCHEMBL11189611 0.73 ELANE (0.38) MAPTTP53SMN1; SMN2KDM4EELANE
SCHEMBL9403517 0.71 MEN1 (0.45) XDHNLRP3MAPTTP53SMN1; SMN2
SCHEMBL9682027 0.71 XDH (0.41) XDHCETPMAPTTP53SMN1; SMN2

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-0500934-A1 ARALKYLOXYAMINE DERIVATIVE AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1992-09-02 EP claimed