SCHEMBL3402966

SCHEMBL3402966

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.37
UBE2M P61081 4/20 0.34
DCUN1D1 Q96GG9 4/20 0.34
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.33
CCND1 P24385 1/20 0.33
CDK6 Q00534 1/20 0.33
MC4R P32245 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
SCHEMBL3405179 0.92 LMNA (0.38) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3400798 0.89 MEN1 (0.35) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3402431 0.89 CCND1 (0.40) MEN1KMT2AKDM4ELMNACCND1
SCHEMBL3404020 0.87 LMNA (0.38) MEN1KMT2AKDM4ELMNATLR8
SCHEMBL3399762 0.85 KMT2A (0.45) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3402347 0.84 LMNA (0.36) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL3405131 0.83 TLR8 (0.43) MEN1KMT2AKDM4ELMNATLR8
SCHEMBL3403623 0.80 TLR8 (0.41) LMNATLR8CNR2
SCHEMBL3399827 0.78 SIGMAR1 (0.43) KDM4ELMNAALDH1A1
SCHEMBL3404354 0.78 SIGMAR1 (0.46) KDM4ELMNAALDH1A1

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