SCHEMBL3400858

SCHEMBL3400858

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 2/20 0.43
AKR1C3 P42330 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
OPRM1 P35372 1/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
SLC6A4 P31645 1/20 0.38
TP53 P04637 1/20 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
SCHEMBL3404829 0.84 KMT2A (0.55) CHRNA7KMT2AHRH3MAPTNPSR1
SCHEMBL3400876 0.82 LMNA (0.48) LMNAKMT2AHRH3OPRM1PDE4B
SCHEMBL3401127 0.81 LMNA (0.50) LMNAKMT2AMAPTNPSR1MEN1
SCHEMBL3400065 0.79 L3MBTL3 (0.48) LMNAKMT2AHRH3MEN1ALDH1A1
SCHEMBL3404126 0.79 L3MBTL3 (0.48) LMNAKMT2AHRH3MEN1ALDH1A1
SCHEMBL3402331 0.78 KMT2A (0.64) LMNAKMT2APDE4DMAPTNPSR1
SCHEMBL2199807 0.77 KMT2A (0.48) LMNACHRNA7KMT2AHRH3MAPT
SCHEMBL2199814 0.77 KMT2A (0.48) LMNACHRNA7KMT2AHRH3MAPT
SCHEMBL13973727 0.76 KMT2A (0.55) LMNAKMT2APDE4BPDE4DMAPT
SCHEMBL3399691 0.74 KMT2A (0.62) LMNAKMT2AHRH3PDE4DMAPT

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