SCHEMBL7994595

SCHEMBL7994595

CCCCCCCCCCCCNC(=O)C=Cc1ccc(-c2[nH]c(-c3cccnc3)nc2-c2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.55
▸ SELE P16581 2/20 0.55
▸ EGFR P00533 1/20 0.44
▸ HDAC3 O15379 5/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ NCOR2 Q9Y618 4/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL8193662 0.90 SELP (0.59) SELPSELEEGFRHDAC3HDAC1
SCHEMBL8193669 0.90 SELP (0.59) SELPSELEEGFRHDAC3HDAC1
SCHEMBL7994596 0.89 SELP (0.56) SELPSELEEGFRHDAC3HDAC1
SCHEMBL7994592 0.89 SELP (0.56) SELPSELEEGFRHDAC3HDAC1
SCHEMBL7995569 0.86 SELP (0.53) SELPSELEEGFRHDAC3HDAC1
SCHEMBL7995566 0.86 SELP (0.53) SELPSELEEGFRHDAC3HDAC1
SCHEMBL7982779 0.78 SELP (0.68) SELPSELEEGFRMEN1CYP3A4
SCHEMBL7993959 0.78 SELP (0.68) SELPSELEEGFRMEN1CYP3A4
SCHEMBL8755919 0.78 EGFR (0.67) SELPEGFRMEN1KMT2AZDHHC2
SCHEMBL8755923 0.78 EGFR (0.67) SELPEGFRMEN1KMT2AZDHHC2

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-2000033836-A9 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS ONTOGEN CORP (US) 2001-10-04 — — WO disclosed
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