SCHEMBL11658564

SCHEMBL11658564

CCCC(C)CCNC(=O)c1cnc(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CSNK2A2 P19784 1/20 0.36
KDR P35968 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 1/20 0.35
HDAC1 Q13547 7/20 0.35
HDAC3 O15379 6/20 0.35
HDAC4 P56524 6/20 0.35
HDAC7 Q8WUI4 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC10 Q969S8 6/20 0.35
HDAC11 Q96DB2 6/20 0.35
HDAC8 Q9BY41 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
HDAC9 Q9UKV0 6/20 0.35

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
SCHEMBL11649748 0.88 NAMPT (0.40) NAMPTGAANPSR1RXFP1CSNK2A2
SCHEMBL11656613 0.83 GAA (0.41) NAMPTGAANPSR1RXFP1CSNK2A2
SCHEMBL11648634 0.80 GAA (0.47) NAMPTGAANPSR1RXFP1KDM4E
SCHEMBL11652486 0.79 KDM4E (0.52) GAANPSR1RXFP1CSNK2A2KDR
SCHEMBL11653068 0.79 KDM4E (0.52) GAANPSR1RXFP1CSNK2A2KDR
SCHEMBL11652981 0.79 KDM4E (0.52) GAANPSR1RXFP1CSNK2A2KDR
SCHEMBL11652714 0.79 KDM4E (0.52) GAANPSR1RXFP1CSNK2A2KDR
SCHEMBL11652618 0.79 KDM4E (0.52) GAANPSR1RXFP1CSNK2A2KDR
SCHEMBL11651262 0.78 GAA (0.42) NAMPTGAANPSR1RXFP1CSNK2A2
SCHEMBL26469152 0.77 ALDH1A1 (0.44) NAMPTGAANPSR1KDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4089865-A Certain thiazole compounds SYNTEX (U.S.A.) INC. (US) 1978-05-16 US disclosed
US-4001421-A THIAZOLE CARDIOVASCULAR AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-04 US disclosed