SCHEMBL16758178

SCHEMBL16758178

O=C(OCc1ccccc1)c1cccc(CBr)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
KMT2A Q03164 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
RAB9A P51151 8/20 0.60
NPC1 O15118 6/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.52
HPGD P15428 2/20 0.51
FOLH1 Q04609 1/20 0.49
JMJD6 Q6NYC1 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 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
SCHEMBL8580111 0.93 RAB9A (0.72) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL28984037 0.90 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL312910 0.88 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL13469247 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL318600 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL15012759 0.85 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL5280009 0.85 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL4650584 0.85 KMT2A (0.76) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL15534844 0.84 TDP1 (0.65) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL9655872 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A

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
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed