SCHEMBL8904619

SCHEMBL8904619

[O-][n+]1c2ccccc2[n+]([O-])c2cscc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
BCL2 P10415 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL6919829 0.83 ATM (0.63) ATMMEN1POLBCASP6KMT2A
SCHEMBL29627789 0.83 ATM (0.63) ATMMEN1POLBCASP6KMT2A
SCHEMBL8785964 0.67 POLB (0.68) ATMMEN1POLBCASP6KMT2A
SCHEMBL8687527 0.67 MEN1 (0.56) ATMMEN1POLBCASP6KMT2A
SCHEMBL8686338 0.67 MEN1 (0.56) ATMMEN1POLBCASP6KMT2A
Carbamic Acid SCHEMBL20269740 0.67 KMT2A (0.50) ATMMEN1POLBCASP6KMT2A
SCHEMBL14344280 0.65 KMT2A (0.54) ATMMEN1POLBCASP6KMT2A
SCHEMBL983009 0.65 ATM (0.39) ATMMEN1POLBCASP6KMT2A
SCHEMBL3084819 0.65 ATM (1.00) ATMMEN1POLBCASP6KMT2A
SCHEMBL8785885 0.64 MEN1 (1.00) ATMMEN1POLBCASP6KMT2A

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-5648453-A Electroconductive polymer and process for producing the polymer SHOWA DENKO K.K. (JP) 1997-07-15 US disclosed
US-5530139-A BENZO- AND NAPHTHOTHIOPHENE COMPOUNDS; INTERMEDIATES IN AGRICULTURE, FOODS AND MEDICINE, MONOMER FOR ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed