SCHEMBL5743479

SCHEMBL5743479

N=C(N)c1cc(Br)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
HPGD P15428 2/20 0.57
CES2 O00748 1/20 0.57
GALR3 O60755 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CASP1 P29466 1/20 0.57
CYP2C19 P33261 1/20 0.57
PLAU P00749 4/20 0.55
F2 P00734 2/20 0.55
F10 P00742 2/20 0.55
PLAT P00750 2/20 0.55
GSTA1 P08263 1/20 0.48
C1S P09871 1/20 0.45
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 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
SCHEMBL24314179 0.83 C1S (0.45) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL1175614 0.78 HPGD (0.69) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL3367963 0.78 ALOX15 (0.57) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL23850208 0.77 ALDH1A1 (0.50) HPGDCYP1A2PLAUF2F10
SCHEMBL16079251 0.77 DGAT1 (0.50) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL21884653 0.76 PLAU (0.61) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL6154796 0.74 ALOX15 (0.69) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL8267256 0.74 PLAU (0.55) ALOX15HPGDPLAUF2F10
SCHEMBL5742419 0.74 CA1 (0.55) ALOX15HPGDCYP2C9CASP1CYP2C19
SCHEMBL14816685 0.74 C1S (0.45) ALOX15HPGDCES2GALR3CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153023-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2017-04-12 EP disclosed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP disclosed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO disclosed