SCHEMBL3263195

SCHEMBL3263195

C=CCOc1cc(C)nn1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
GAA P10253 4/20 0.40
BCL6 P41182 1/20 0.39
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3261594 0.79 SIGMAR1 (0.46) POLBKDM4EALDH1A1
SCHEMBL3387671 0.74 POLB (0.69) POLBKMT2AHPGDMEN1KDM4E
SCHEMBL29619559 0.72 ALDH1A1 (0.39) KMT2AHPGDMEN1KDM4EALDH1A1
SCHEMBL9510331 0.71 POLB (0.61) POLBKMT2AHPGDMEN1KDM4E
SCHEMBL12770967 0.70 POLB (0.64) POLBKMT2AHPGDMEN1ALDH1A1
SCHEMBL13221831 0.69 POLB (0.58) POLBKMT2AHPGDMEN1KDM4E
SCHEMBL13902268 0.69 POLB (0.50) POLBALDH1A1GAALMNAMAPT
SCHEMBL18557515 0.68 POLB (0.57) POLBKMT2AHPGDMEN1KDM4E
SCHEMBL16049989 0.68 MAPK1 (0.54) POLBKMT2AHPGDMEN1KDM4E
SCHEMBL18649398 0.68 POLB (0.60) POLBKMT2AHPGDMEN1KDM4E

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-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed