SCHEMBL8324583

SCHEMBL8324583

O=C(/C=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)NOC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
POLB P06746 2/20 0.48
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46

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
SCHEMBL8323900 0.91 HDAC1 (0.46) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8324563 0.87 HDAC1 (0.63) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8322715 0.83 HDAC1 (0.63) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8326329 0.80 SMN1; SMN2 (0.43) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8323979 0.80 SMN1; SMN2 (0.43) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8325183 0.80 HDAC1 (0.40) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8320549 0.80 HDAC1 (0.70) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8325172 0.79 HDAC1 (0.49) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL8320188 0.78 HDAC1 (0.46) KMT2ACYP3A4CYP2D6CYP2C19MEN1
SCHEMBL5043996 0.78 HDAC1 (0.61) KMT2AMEN1ALDH1A1POLBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed