SCHEMBL3822276

SCHEMBL3822276

Fc1ccc(Nc2cscn2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.36
SCN1A P35498 15/20 0.36
SCN8A Q9UQD0 15/20 0.36
SCN5A Q14524 14/20 0.36
KDM4E B2RXH2 1/20 0.35
SCN1B Q07699 3/20 0.34
SCN9A Q15858 3/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN2A Q99250 1/20 0.34
SLC40A1 Q9NP59 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
SCHEMBL1868593 0.80 MAPK10 (0.56) MAPK10SCN1ASCN8ASCN5AKDM4E
SCHEMBL3944985 0.72 KDM4E (0.35) MAPK10KDM4ESLC40A1
SCHEMBL14048610 0.69 MEN1 (0.65) KDM4ECYP2C9
SCHEMBL461146 0.69 KMT2A (0.48) KDM4E
SCHEMBL25167315 0.67 ADRA2A (0.56) KDM4E
SCHEMBL5006940 0.66 MAPT (0.50) KDM4E
Hydrochloric Acid SCHEMBL4594657 0.65 MAPT (0.48) KDM4E
SCHEMBL6625263 0.64 TDP1 (0.38) KDM4ECYP2C9SLC40A1
SCHEMBL8852094 0.64 IDO1 (0.57) KDM4ESLC40A1
SCHEMBL30366540 0.64 HPRT1 (0.46) KDM4E

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-2089355-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-08-19 EP disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed