SCHEMBL14508320

SCHEMBL14508320

CCOC(=O)c1cc2ccc(C(=O)CBr)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.64
HRH3 Q9Y5N1 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
MMP13 P45452 8/20 0.57
MMP2 P08253 6/20 0.57
HSD17B10 Q99714 1/20 0.56
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL71101 0.88 ALOX15 (0.72) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL28676691 0.85 ALOX15 (0.68) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL6417272 0.85 HRH3 (0.80) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL327597 0.84 MMP13 (0.80) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL21822593 0.82 PLG (0.70) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL29507036 0.81 ALOX15 (0.70) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL3275836 0.81 ALOX15 (0.70) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL5623372 0.80 KDM4E (0.78) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL4907791 0.79 ALOX15 (0.72) ALOX15HRH3KDM4EALDH1A1HPGD
SCHEMBL17368519 0.79 ALOX15 (0.72) ALOX15HRH3KDM4EALDH1A1HPGD

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
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed