SCHEMBL7792833

SCHEMBL7792833

O=c1ccc2ccccc2[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 6/20 0.31
ACHE P22303 6/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
BRD4 O60885 1/20 0.31
BRPF1 P55201 1/20 0.31
CA9 Q16790 1/20 0.31
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
HSD17B10 Q99714 3/20 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
SCHEMBL379226 0.71 ATM (0.36) ATMKDM4EALDH1A1MEN1KMT2A
SCHEMBL9531 0.70 ATM (0.48) ATMBCHEACHE
Sulfuric Acid SCHEMBL28489489 0.69 MEN1 (0.40) ATMKDM4EALDH1A1MEN1KMT2A
Fluoride SCHEMBL27608168 0.69 ATM (0.46) ATMBCHEACHE
SCHEMBL28126562 0.69 ATM (0.46) ATMBCHEACHE
Water SCHEMBL5786021 0.69 ATM (0.46) ATMBCHEACHE
Hydrochloric Acid SCHEMBL7370284 0.69 BCHE (0.50) BCHEACHE
SCHEMBL27684621 0.69 ATM (0.46) ATMBCHEACHE
SCHEMBL5562881 0.67 ATM (0.45) ATMNPC1RAB9AKDM4EALDH1A1
SCHEMBL25413825 0.67 ATM (0.50) ATMNPC1RAB9AKDM4EALDH1A1

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-1150715-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS SANOFI-SYNTHELABO (FR) 2001-11-07 EP claimed
WO-2000045846-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING NICOTINE OR A LIGAND OF NICOTINE RECEPTORS AND A MONAMINE OXYDASE INHIBITOR AND THEIR USE FOR TREATING TOBACCO WITHDRAWAL SYMPTOMS SANOFI-SYNTHELABO (FR) 2000-08-10 WO claimed