SCHEMBL8694248

SCHEMBL8694248

CCCCN(CCCC)S(=O)(=O)Nc1ccc2sc(C)c(CCN(C)Cc3ncc([N+](=O)[O-])cn3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
VCAM1 P19320 1/20 0.31
KMT2A Q03164 6/20 0.31
MEN1 O00255 5/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MET P08581 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL8549583 0.84 HIF1A (0.39) MAPTLMNAHTTKMT2AMEN1
SCHEMBL7146368 0.84 ALDH1A1 (0.38) MAPTLMNAHTTKMT2AMEN1
SCHEMBL8551905 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8549554 0.65 HTR6 (0.42) MAPTLMNAHTTKMT2AMEN1
SCHEMBL87387 0.57 MAPT (0.51) MAPTLMNAKMT2AMEN1PKM
SCHEMBL9486183 0.57 EIF4A1 (0.47) MAPTKMT2AMEN1PKMTDP1
SCHEMBL15347383 0.56 CDC25C (0.57) MAPTLMNAHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL9487425 0.56 EIF4A1 (0.46) MAPTKMT2AMEN1PKMTDP1
SCHEMBL9487419 0.56 POLB (0.42) MAPTLMNAKMT2AMEN1PKM
SCHEMBL11180478 0.55 MAPT (0.48) MAPTHTTKMT2AMEN1TDP1

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed