SCHEMBL3400798

SCHEMBL3400798

C=CCCC(C)N1CCN(Cc2cn(CC)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCND1 P24385 1/20 0.31
CDK6 Q00534 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MC4R P32245 1/20 0.30
TMEM97 Q5BJF2 2/20 0.30
SIGMAR1 Q99720 2/20 0.30

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
SCHEMBL3402966 0.89 MEN1 (0.39) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3405179 0.87 LMNA (0.38) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3402431 0.85 CCND1 (0.40) MEN1KMT2AKDM4ELMNACCND1
SCHEMBL3398731 0.84 LMNA (0.38) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3404020 0.83 LMNA (0.38) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3399762 0.81 KMT2A (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3402347 0.81 LMNA (0.36) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3405131 0.77 TLR8 (0.43) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL3404354 0.74 SIGMAR1 (0.46) KDM4ELMNAALDH1A1TMEM97SIGMAR1
SCHEMBL3399827 0.74 SIGMAR1 (0.43) KDM4ELMNAALDH1A1TMEM97SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed