SCHEMBL8048189

SCHEMBL8048189

COc1cccc(-n2cc(C)nc2Br)c1[N+](=O)OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL970040 0.87 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8031000 0.81 ATP4A (0.38) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL970413 0.70 CRHR1 (0.36) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL968700 0.69 KMT2A (0.33) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3330603 0.69 ALOX5 (0.33) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL969679 0.68 RXFP1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL3324746 0.67 PTGS2 (0.35) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3325965 0.67 KMT2A (0.38) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL3326254 0.65 CRHR1 (0.32) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3325859 0.64 AMY1A (0.32) MEN1KMT2AKDM4EALDH1A1HTT

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-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed