SCHEMBL5529704

SCHEMBL5529704

Nc1ccccc1NC(=O)NCCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
EPHX1 P07099 1/20 0.66
HDAC1 Q13547 2/20 0.65
KMT2A Q03164 5/20 0.64
EPHX2 P34913 3/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CNR1 P21554 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54

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
SCHEMBL13996993 0.89 KDM4E (0.76) KDM4EEPHX1KMT2AEPHX2RAB9A
SCHEMBL15093821 0.81 EPHX2 (0.86) KDM4EEPHX1KMT2AEPHX2RAB9A
SCHEMBL17117239 0.80 KMT2A (0.65) KDM4EEPHX1KMT2AEPHX2RAB9A
SCHEMBL12196188 0.80 EPHX1 (1.00) KDM4EEPHX1HDAC1KMT2AEPHX2
SCHEMBL2109520 0.79 HDAC1 (1.00) HDAC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL17117232 0.79 KMT2A (0.64) KDM4EEPHX1KMT2AEPHX2RAB9A
SCHEMBL21045504 0.78 KMT2A (1.00) KDM4EEPHX1KMT2ARAB9AALDH1A1
SCHEMBL10363534 0.78 KDM4E (0.71) KDM4EEPHX1KMT2ARAB9AALDH1A1
SCHEMBL3383335 0.78 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL10588979 0.78 EPHX2 (0.70) KDM4EEPHX1KMT2AEPHX2RAB9A

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
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed