SCHEMBL3402280

SCHEMBL3402280

CCc1ccc(-c2nc(C)c(C(=O)N(CC)CCN(C)CC)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
RAB9A P51151 5/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
PPARA Q07869 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL13071478 0.99 CDC7 (0.44) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3401729 0.92 RAB9A (0.54) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3400511 0.91 NPC1 (0.43) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3405629 0.90 CRHR1 (0.43) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3398655 0.90 TRPM8 (0.47) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3404948 0.90 SMN1; SMN2 (0.56) RAB9AGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3403051 0.88 SMN1; SMN2 (0.43) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3404918 0.88 MAPT (0.50) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3405333 0.86 RAB9A (0.40) CDC7DBF4RAB9AGAAKDM4E
SCHEMBL3401528 0.86 PPARA (0.52) CDC7DBF4RAB9AGAAKDM4E

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