SCHEMBL29800698

SCHEMBL29800698

O=[N+]([O-])c1cccc2c(Br)ccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
KDM4E B2RXH2 7/20 0.67
TDP1 Q9NUW8 7/20 0.67
MAPT P10636 10/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 4/20 0.57
MITF O75030 1/20 0.57
PDE10A Q9Y233 1/20 0.56
LMNA P02545 4/20 0.54
MAPK1 P28482 2/20 0.54
BLM P54132 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NOS1 P29475 1/20 0.54

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
SCHEMBL22120229 1.00 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL5188552 0.87 MAPT (0.67) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL29777337 0.87 MAPT (0.67) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL7478482 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL4642926 0.80 MEN1 (0.67) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL317836 0.80 KMT2A (1.00) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL6538214 0.80 MAPT (0.77) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL31067265 0.80 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL4865525 0.79 MEN1 (0.57) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL34471923 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4ETDP1

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
EP-4291555-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-12-20 EP disclosed
WO-2022173727-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-08-18 WO disclosed