SCHEMBL3398938

SCHEMBL3398938

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
PDE2A O00408 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 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
SCHEMBL3401069 0.94 MAPK1 (0.48) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL3405341 0.92 KDM4E (0.51) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL14545475 0.90 KDM4E (0.46) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL3400291 0.87 GAA (0.45) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3399977 0.84 TSHR (0.53) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL3403957 0.83 PANK3 (0.46) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL3405318 0.82 HTR2C (0.47) GAASMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL3398247 0.80 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1PDE2ANPSR1
SCHEMBL3405826 0.79 DPP4 (0.49) GAAALDH1A1PDE2AHSD17B10NPSR1
SCHEMBL3399671 0.78 MAPT (0.47) GAASMN1; SMN2KDM4EALDH1A1HPGD

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 3 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