SCHEMBL5287962

SCHEMBL5287962

Cn1nc(-c2ccc(C=O)cc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.51
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL11144982 0.79 HRH3 (0.54) HRH3MEN1KMT2AMAPTKDM4E
SCHEMBL3089686 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL11397967 0.79 HRH3 (0.54) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL1372655 0.79 HRH3 (0.54) HRH3KCNH2
SCHEMBL5677056 0.79 KEAP1 (0.56) HRH3MAPTRAB9ASMN1; SMN2KCNH2
SCHEMBL11142730 0.78 KMT2A (0.53) HRH3MEN1KMT2AKDM4EALDH1A1
Cyanide SCHEMBL22130096 0.77 HRH3 (0.44) HRH3MEN1KMT2ATP53MAPT
SCHEMBL11405317 0.77 HRH3 (0.52) HRH3MEN1KMT2AMAPTKDM4E
SCHEMBL11391433 0.77 HRH3 (0.52) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL11395117 0.77 HRH3 (0.52) HRH3MEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008145-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed