SCHEMBL7651624

SCHEMBL7651624

CCn1c(=NN=c2n(CC)c3ccccc3[s+]2[O-])[s+]([O-])c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 8/20 0.37
HTT P42858 4/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 9/20 0.33
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
HSD17B10 Q99714 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 2/20 0.33
NSD2 O96028 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL10349320 0.67 GPR3 (0.33)
SCHEMBL151563 0.60 ALDH1A1 (0.75) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL29360167 0.60 ALDH1A1 (0.75) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL29963695 0.60 ALDH1A1 (0.75) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL30935713 0.58 HTT (0.48) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL31676670 0.58 ALDH1A1 (0.72) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL12498669 0.58 ALDH1A1 (0.72) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL6740402 0.58 ALDH1A1 (0.53) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL28676971 0.58 ALDH1A1 (0.72) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL4621924 0.58 ALDH1A1 (0.59) MEN1KMT2ACYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547114-B1 MICROASSAY ON A CARD US GOV SEC NAVY (US) 2002-03-27 EP disclosed
US-5369007-A Drug abuse THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-11-29 US disclosed
US-5200321-A For drug testing; high speed, portable THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-04-06 US disclosed
WO-1992004612-A1 MICROASSAY ON A CARD THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF THE NAVY (US) 1992-03-19 WO disclosed