SCHEMBL3405318

SCHEMBL3405318

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(Cl)ccc2Cl)nc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CRHR1 P34998 3/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL13071981 0.92 MAPT (0.52) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3400343 0.89 HTR2C (0.47) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3399781 0.88 HTR2C (0.46) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3405487 0.87 HTR2C (0.44) HTR2CMAPTRAB9AALDH1A1NPC1
SCHEMBL3401263 0.87 HTR2C (0.57) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3403876 0.84 KMT2A (0.45) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3404304 0.83 KMT2A (0.61) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3405498 0.83 HTR2C (0.55) HTR2CMAPTRAB9AALDH1A1NPC1
SCHEMBL3404493 0.82 KMT2A (0.44) HTR2CMAPTRAB9AALDH1A1KDM4E
SCHEMBL3398938 0.82 GAA (0.46) MAPTRAB9AALDH1A1KDM4ENPC1

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