SCHEMBL9405015

SCHEMBL9405015

CCCCc1c2c(nc3c1CCCC3)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
ACHE P22303 4/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
BPTF Q12830 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
CACNA2D1 P54289 3/20 0.38

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
SCHEMBL12507984 0.88 MEN1 (0.50) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL460602 0.81 MEN1 (0.50) MEN1KMT2AACHE
SCHEMBL10287315 0.81 MEN1 (0.43) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL12507981 0.79 ACHE (0.50) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL12507663 0.77 MEN1 (0.90) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL15024799 0.77 MEN1 (0.53) MEN1KMT2AACHE
SCHEMBL27701976 0.75 MEN1 (0.40) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL22020517 0.74 ACHE (0.48) MEN1KMT2AKDM4EMAPTACHE
SCHEMBL28469513 0.73 BCHE (0.63) KDM4EACHECYP1A2MAPK1ALDH1A1
SCHEMBL11717674 0.73 KMT2A (0.83) MEN1KMT2AKDM4EMAPTACHE

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-5283333-A Cyclic compounds for forming complexes with urea, guanidine and amidine derivatives THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-01 US disclosed
US-5030728-A Cyclic compounds for forming complexes with urea, guanidine and amidine derivatives THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1991-07-09 US disclosed