SCHEMBL11517246

SCHEMBL11517246

NC(=NC(=O)c1ccccc1)N1CCc2[nH]cnc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
SCN2A Q99250 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NAMPT P43490 1/20 0.35
HTR2C P28335 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
TMPRSS2 O15393 1/20 0.33
ADRA1A P35348 1/20 0.32
GRM5 P41594 4/20 0.32
KCNH2 Q12809 1/20 0.32
AOC3 Q16853 1/20 0.32

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
SCHEMBL22915890 0.81 KDM4E (0.47) KDM4ENAMPTHTR2CPTGS1GRM5
SCHEMBL31595886 0.77 NAMPT (0.37) KDM4ENAMPTHTR2CKCNH2
SCHEMBL22915971 0.75 SLC6A7 (0.52) KDM4ENAMPTHTR2CSMN1; SMN2
SCHEMBL1994788 0.75 NAMPT (0.38) KDM4ENAMPTHTR2CADRA1AKCNH2
SCHEMBL22915967 0.75 MAPK1 (0.50) KDM4ENAMPT
SCHEMBL11518308 0.74 TMPRSS2 (0.42) NAMPTHTR2CTMPRSS2
SCHEMBL22916009 0.73 NPC1 (0.47) KDM4E
Hydrochloric Acid SCHEMBL11518596 0.73 TMPRSS2 (0.41) NAMPTHTR2CTMPRSS2
SCHEMBL11518591 0.73 AKT1 (0.31) HTR2C
SCHEMBL11515050 0.73 AKT1 (0.31) HTR2C

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed