SCHEMBL3400876

SCHEMBL3400876

Cc1cc(Cl)ccc1-n1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
HPGD P15428 1/20 0.42
OPRM1 P35372 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3400065 0.91 L3MBTL3 (0.48) LMNAALDH1A1L3MBTL1KDM4EL3MBTL3
SCHEMBL3404126 0.91 L3MBTL3 (0.48) LMNAALDH1A1L3MBTL1KDM4EL3MBTL3
SCHEMBL3405473 0.86 KDM4E (0.47) LMNAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3403915 0.82 KMT2A (0.48) LMNAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3400858 0.82 LMNA (0.51) LMNAALDH1A1OPRM1PDE4BPDE4D
SCHEMBL2201414 0.79 L3MBTL3 (0.42) LMNAALDH1A1L3MBTL1KDM4EL3MBTL3
SCHEMBL3398423 0.79 KMT2A (0.60) LMNAALDH1A1KDM4EHPGDPDE4D
SCHEMBL2200600 0.78 KMT2A (0.46) LMNAALDH1A1L3MBTL1KDM4ESCN5A
SCHEMBL2200597 0.78 KMT2A (0.46) LMNAALDH1A1L3MBTL1KDM4ESCN5A
SCHEMBL2202742 0.77 KMT2A (0.50) ALDH1A1L3MBTL1KDM4EL3MBTL3HRH3

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed