SCHEMBL11280702

SCHEMBL11280702

Clc1ccc2nc(SCc3ccccc3)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 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
SCHEMBL11277657 0.94 MEN1 (0.46) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL29108035 0.76 HPGD (0.50) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL30517180 0.76 HPGD (0.50) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL30517179 0.76 HPGD (0.50) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL780564 0.74 PDGFRB (0.61) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL16011599 0.73 L3MBTL1 (0.50) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL11283138 0.73 HRH4 (0.48) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL782190 0.73 PKM (0.48) MAPTL3MBTL1GAAKDM4EHPGD
SCHEMBL31468188 0.72 CYP3A4 (0.50) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL29108036 0.72 HRH4 (0.43) MEN1KMT2AMAPTL3MBTL1KDM4E

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
EP-0018493-B1 2-SULFONYL-QUINOXALINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1982-12-01 EP disclosed
EP-0018493-A1 2-Sulfonyl-quinoxalines, processes for their preparation and their use as microbicides BAYER AG (DE) 1980-11-12 EP disclosed