SCHEMBL3402676

SCHEMBL3402676

Cc1nc(-c2c(F)cccc2F)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRM4 P08173 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
WNT1 P04628 2/20 0.43
DYRK1A Q13627 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.43
PKM P14618 1/20 0.43
PIM1 P11309 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL3402635 0.99 MEN1 (0.47) PARP1NPSR1MEN1KMT2ACHRM4
SCHEMBL13310019 0.89 SRC (0.47) PARP1NPSR1CHRM4NPC1HPGD
SCHEMBL3403561 0.89 WNT1 (0.52) PARP1NPSR1MEN1KMT2ACHRM4
SCHEMBL3399888 0.87 CHRM4 (0.45) PARP1NPSR1KMT2ACHRM4LMNA
SCHEMBL3404959 0.86 CHRM4 (0.44) PARP1NPSR1CHRM4LMNATSHR
SCHEMBL3399342 0.85 KMT2A (0.49) PARP1KMT2APOLBALDH1A1
SCHEMBL3400096 0.83 CHRM4 (0.49) NPSR1CHRM4NPC1HPGDMAPT
SCHEMBL3401313 0.82 SCN9A (0.47) PARP1NPSR1CHRM4TSHRSCN9A
SCHEMBL3405409 0.82 SCN9A (0.47) PARP1NPSR1CHRM4TSHRSCN9A
SCHEMBL3400929 0.82 SCN9A (0.49) NPSR1CHRM4NPC1HPGDWNT1

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