SCHEMBL363829

SCHEMBL363829

Cc1cc(C(=O)CC(c2ccc(C(=O)NC3CCC(O)CC3)c(F)c2)c2ccccc2Cl)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.41
PTK2 Q05397 1/20 0.37
HPGD P15428 2/20 0.37
IDH1 O75874 1/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
BRDT Q58F21 2/20 0.36
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
CHRNA1 P02708 1/20 0.36
CCL2 P13500 1/20 0.36
TAF1 P21675 1/20 0.36
ACHE P22303 1/20 0.36
HTR1D P28221 1/20 0.36
ADORA2A P29274 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
BRPF1 P55201 1/20 0.36
EP300 Q09472 1/20 0.36
BPTF Q12830 1/20 0.36

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
SCHEMBL364415 0.95 HPGD (0.37) BRD4PTK2HPGDMETMAPK14
SCHEMBL363154 0.93 HPGD (0.35) BRD4HPGDACHEMETMAPK14
SCHEMBL362599 0.91 BRD4 (0.40) BRD4PTK2HPGDIDH1BRD2
SCHEMBL361665 0.89 HPGD (0.37) BRD4HPGDMETMAPK14F10
SCHEMBL363606 0.86 GPBAR1 (0.35) BRD4HPGDMETMAPK14F10
SCHEMBL364618 0.84 MET (0.42) BRD4HPGDIDH1METF10
SCHEMBL363538 0.84 TDP1 (0.38) BRD4ALDH1A1
SCHEMBL1390395 0.83 BRD4 (0.41) BRD4PTK2HPGDIDH1BRD2
SCHEMBL1390393 0.83 BRD4 (0.41) BRD4PTK2HPGDIDH1BRD2
SCHEMBL362147 0.82 MET (0.34) BRD4EP300METF10

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed