SCHEMBL9645274

SCHEMBL9645274

NC(=O)c1ccccc1SCCCCl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.49
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL8784638 0.85 CYP1A2 (0.59) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL9844068 0.84 PTGS2 (0.57) SIRT1MAPTLMNAMEN1NR1I2
SCHEMBL11174329 0.84 PTGS2 (0.57) SIRT1MAPTLMNAMEN1NR1I2
SCHEMBL27453666 0.83 PTGS2 (0.56) SIRT1MAPTLMNAMEN1NR1I2
Iodide SCHEMBL8515613 0.83 PTGS2 (0.56) SIRT1MAPTLMNAMEN1NR1I2
SCHEMBL18010736 0.82 PTGS2 (0.56) SIRT1MAPTLMNAMEN1NR1I2
SCHEMBL6780943 0.79 PTGS2 (0.53) SIRT1MAPTLMNAMEN1NR1I2
SCHEMBL9038340 0.77 TSHR (0.56) MAPTLMNACYP3A4CYP1A2KDM4E
SCHEMBL1013654 0.75 HSD17B10 (0.62) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL6232914 0.75 CYP1A2 (0.65) MAPTLMNAMEN1KMT2ACYP1A2

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-0322389-B1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1992-10-28 EP disclosed
US-5034411-A Cardiovascular disorders or antiarrhythmia agents AKTIEBOLAGET HASSLE (SE) 1991-07-23 US disclosed
WO-1989005795-A1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1989-06-29 WO disclosed