SCHEMBL22795696

SCHEMBL22795696

OC(O)(Cl)c1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 1/20 0.36
HTT P42858 4/20 0.35
ALOX15 P16050 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2A6 P11509 1/20 0.32
ROCK2 O75116 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
ROCK1 Q13464 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL15463724 0.79 NR1H2 (0.40) POLBHCAR2KDM4EHTTALOX15
SCHEMBL22787248 0.78 POLB (0.36) POLBHCAR2KDM4EHTTALOX15
SCHEMBL746198 0.78 POLB (0.41) POLBHCAR2HTTCYP11B1CYP11B2
SCHEMBL30964464 0.75 CYP11B1 (0.40) POLBHCAR2KDM4EHTTALOX15
SCHEMBL3647016 0.75 RAB9A (0.39) POLBHCAR2KDM4EHTTALOX15
SCHEMBL2732538 0.73 CYP1A2 (0.39) POLBHCAR2KDM4EHTTALOX15
SCHEMBL29920114 0.73 CYP11B1 (0.49) POLBHCAR2CYP11B1CYP11B2
SCHEMBL185547 0.73 CYP11B1 (0.49) POLBHCAR2CYP11B1CYP11B2
SCHEMBL433999 0.72 CYP11B2 (0.44) CYP11B1CYP11B2CYP19A1
SCHEMBL15474181 0.71 CYP11B1 (0.37) POLBHCAR2KDM4EHTTALOX15

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
WO-2020249799-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed