SCHEMBL3401256

SCHEMBL3401256

Cc1cc(C)c(-c2nc(C)c(C(=O)NCCN3CCCCC3)s2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
STAT3 P40763 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACKR3 P25106 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CHRM4 P08173 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
PARP1 P09874 1/20 0.42
FLT3 P36888 1/20 0.42
SYK P43405 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SCN9A Q15858 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3405627 0.92 GAA (0.50) GAASTAT3KMT2ALMNAHPGD
SCHEMBL13310019 0.88 SRC (0.47) GAANPSR1CHRM4NPC1HPGD
SCHEMBL3405545 0.86 CHRM4 (0.50) GAANPSR1STAT3CHRM4NPC1
SCHEMBL3405210 0.85 CHRM4 (0.51) GAANPSR1STAT3CHRM4NPC1
SCHEMBL3402635 0.83 MEN1 (0.47) GAANPSR1MEN1KMT2ALMNA
SCHEMBL3396893 0.83 SCN9A (0.48) GAANPSR1STAT3MEN1KMT2A
SCHEMBL3399700 0.82 KDM4E (0.56) LMNACHRM4KDM4ESCN9APOLB
SCHEMBL3402676 0.82 PARP1 (0.46) GAANPSR1MEN1KMT2ALMNA
SCHEMBL3405415 0.81 CHRM4 (0.54) ACKR3CHRM4NPC1HPGD
SCHEMBL3400929 0.81 SCN9A (0.49) GAANPSR1TP53CHRM4NPC1

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