SCHEMBL9300210

SCHEMBL9300210

CCCCN(C)C(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.43
NAMPT P43490 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 7/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL7882856 0.88 HPGD (0.43) HPGDALDH1A1HDAC6MEN1KMT2A
SCHEMBL7884002 0.85 HPGD (0.49) HPGDHDAC6MEN1KMT2AHDAC4
SCHEMBL847739 0.85 HPGD (0.45) PDK2HPGDALDH1A1HDAC6MEN1
SCHEMBL9299586 0.81 HTR7 (0.47) HPGDALDH1A1NAMPTHDAC4
SCHEMBL9300893 0.80 HPGD (0.58) HPGDTSHRHDAC6TP53MEN1
SCHEMBL14314804 0.78 TSHR (0.55) PDK2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL14233766 0.78 ALDH1A1 (0.52) PDK2HPGDALDH1A1NAMPTTSHR
SCHEMBL849656 0.77 HPGD (0.49) PDK2HPGDALDH1A1MEN1KMT2A
SCHEMBL9299563 0.76 HPGD (0.76) HPGDALDH1A1TSHRL3MBTL1MEN1
SCHEMBL2228900 0.76 HPGD (0.59) PDK2HPGDALDH1A1NAMPTTSHR

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-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed