SCHEMBL3402635

SCHEMBL3402635

Cc1nc(-c2c(F)cccc2F)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PARP1 P09874 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.44
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
SCN9A Q15858 1/20 0.44
GAA P10253 1/20 0.44
CHRM4 P08173 3/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
PIM1 P11309 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3402676 0.99 PARP1 (0.46) MEN1KMT2APARP1NPSR1PKM
SCHEMBL13310019 0.88 SRC (0.47) PARP1NPSR1GAACHRM4NPC1
SCHEMBL3403561 0.88 WNT1 (0.52) MEN1KMT2APARP1NPSR1PKM
SCHEMBL3404959 0.87 CHRM4 (0.44) PARP1NPSR1SCN9AGAACHRM4
SCHEMBL3399888 0.86 CHRM4 (0.45) KMT2APARP1NPSR1SCN9AGAA
SCHEMBL3399342 0.84 KMT2A (0.49) KMT2APARP1POLB
SCHEMBL3400929 0.84 SCN9A (0.49) NPSR1WNT1DYRK1ASCN9AGAA
SCHEMBL3401256 0.83 GAA (0.47) MEN1KMT2APARP1NPSR1SCN9A
SCHEMBL3405360 0.83 SCN9A (0.49) NPSR1SCN9AGAACHRM4TSHR
SCHEMBL3401224 0.83 SCN9A (0.49) NPSR1SCN9AGAACHRM4TSHR

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