SCHEMBL7864694

SCHEMBL7864694

O=[N+]([O-])c1cccc2sc(-c3cccc4c3Cc3ccccc3-4)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
ACHE P22303 2/20 0.38
PDE10A Q9Y233 1/20 0.36
ADORA1 P30542 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
APP P05067 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL1306345 0.76 MAPT (0.49) ACHEKMT2AMAPTRECQLMCL1
SCHEMBL4301706 0.76 KDM4E (0.50) MGAMGAASIMGAM2MAPT
SCHEMBL2139179 0.75 KDM4E (0.54) GAAKMT2AMAPTMEN1APP
SCHEMBL12479627 0.75 MEN1 (0.52) MGAMGAASIMGAM2TXNRD1
SCHEMBL7866207 0.73 PNMT (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL11366878 0.72 MGAM (0.40) MGAMGAASIMGAM2TXNRD1
SCHEMBL10426653 0.72 PDE10A (0.49) MGAMGAASIMGAM2TXNRD1
SCHEMBL31122218 0.72 PDE10A (0.49) MGAMGAASIMGAM2TXNRD1
Fluorene SCHEMBL27883247 0.69 ALDH1A1 (0.53) ACHEKMT2AMAPTRECQLMCL1
SCHEMBL4920165 0.69 ALDH1A1 (0.50) TXNRD1TXNRD3TXNRD2PDE10AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300502-B1 Multi-armed chromophores with very large two-photon absorption cross-sections THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2001-10-09 US disclosed