SCHEMBL5034945

SCHEMBL5034945

O=C(Cl)c1ccc(C(=O)c2ccc(C(=O)Cl)c(C(=O)Cl)c2Cl)cc1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRD5A2 P31213 2/20 0.36
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C9 P11712 2/20 0.33
NR4A1 P22736 1/20 0.32
VCAM1 P19320 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL338194 0.81 TDP1 (0.48) CDC25ACDC25BHSD17B10SRD5A2POLB
SCHEMBL29440655 0.75 ALDH1A1 (0.40) CDC25ACDC25BHSD17B10SRD5A2POLB
SCHEMBL75886 0.75 ALDH1A1 (0.40) CDC25ACDC25BHSD17B10SRD5A2POLB
SCHEMBL2009581 0.72 ALDH1A1 (0.39) CDC25ACDC25BHSD17B10SRD5A2KDM4E
SCHEMBL9197919 0.71 ALDH1A1 (0.48) HSD17B10TDP1KDM4EALDH1A1MAPT
SCHEMBL6560811 0.71 KDM4E (0.52) CDC25ACDC25BHSD17B10SRD5A2POLB
SCHEMBL8904804 0.70 ALDH1A1 (0.48) KDM4EALDH1A1MAPTALOX15
SCHEMBL7707415 0.67 ALDH1A1 (0.54) HSD17B10POLBTDP1KDM4EALDH1A1
SCHEMBL9815475 0.67 KDM4E (0.50) HSD17B10TDP1KDM4EALDH1A1MAPT
SCHEMBL654794 0.66 ALDH1A1 (0.52) HSD17B10SRD5A2KDM4EALDH1A1MAPT

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
EP-1511754-B1 MULTIMER FORMS OF MONO- AND BIS-ACYLPHOSPHINE OXIDES CIBA HOLDING INC (CH) 2008-07-23 EP disclosed