SCHEMBL2328829

SCHEMBL2328829

NC(=NO)c1ccc(C2(CF)CCOCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
KDM1A O60341 3/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
P2RX7 Q99572 6/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL2328822 1.00 GAA (0.35) GAARAB9AKDM1AALDH1A1L3MBTL1
SCHEMBL2326585 0.80 KDM1A (0.37) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL2326589 0.80 KDM1A (0.37) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL3090009 0.78 HRH3 (0.38) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL3090006 0.78 HRH3 (0.38) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL2324181 0.75 SLC6A3 (0.38) GAARAB9AKDM1AMEN1MAPK1
SCHEMBL2324177 0.75 SLC6A3 (0.38) GAARAB9AKDM1AMEN1MAPK1
SCHEMBL2325025 0.73 ALOX5 (0.41) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL2325028 0.73 ALOX5 (0.41) GAARAB9AKDM1AL3MBTL1MEN1
SCHEMBL2328831 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAHTTP2RX7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed