SCHEMBL27720667

SCHEMBL27720667

O=C(O)c1ccc(CCNc2nccc(-c3cccnc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.64
HDAC2 Q92769 6/20 0.64
NCOR1 O75376 6/20 0.64
HDAC1 Q13547 4/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC8 Q9BY41 2/20 0.64
ABL1 P00519 3/20 0.57
PRKCA P17252 3/20 0.57
BCR P11274 2/20 0.57
CYP3A4 P08684 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
PRKCD Q05655 2/20 0.52
EGFR P00533 1/20 0.52
CAMK2D Q13557 2/20 0.52
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
MAPK8 P45983 1/20 0.49
PIK3CG P48736 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL1067828 0.90 HDAC3 (0.79) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL27550354 0.88 ABL1 (0.66) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL4905848 0.86 MKNK1 (0.66) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL27549049 0.83 ABL1 (0.57) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL28550605 0.83 ABL1 (0.59) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL1466635 0.81 ABL1 (0.51) HDAC3HDAC2NCOR1HDAC1HDAC6
SCHEMBL210190 0.81 ABL1 (0.76) HDAC1ABL1PRKCABCRPRKCD
SCHEMBL27782645 0.81 HDAC3 (0.69) HDAC3HDAC2NCOR1HDAC1HDAC6
Hydrochloric Acid SCHEMBL7470853 0.80 ABL1 (0.74) HDAC1ABL1PRKCABCRPRKCD
SCHEMBL29784912 0.79 HDAC3 (0.77) HDAC3HDAC2NCOR1HDAC1HDAC6

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
CN-101155786-A N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM CO LTD (KR) 2008-04-02 CN disclosed