SCHEMBL28037841

SCHEMBL28037841

O=C(NCCN1CCOCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.72
CD274 Q9NZQ7 2/20 0.71
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.65
POLB P06746 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.58

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
SCHEMBL10203243 0.88 CYP2C19 (0.68) EPHX2CD274CYP2C19CYP2C9POLB
SCHEMBL2679794 0.88 LMNA (0.61) EPHX2CD274POLBSMN1; SMN2LMNA
SCHEMBL17554165 0.88 BCL3 (0.71) EPHX2CD274POLBSMN1; SMN2ALDH1A1
SCHEMBL30560519 0.88 BCL3 (0.71) EPHX2CD274POLBSMN1; SMN2ALDH1A1
SCHEMBL29658300 0.87 POLB (0.64) EPHX2CD274POLBALDH1A1
SCHEMBL11479065 0.86 CD274 (0.93) EPHX2CD274POLBALDH1A1HPGD
SCHEMBL29584690 0.84 CYP2C19 (0.69) EPHX2CD274CYP2C19CYP2C9POLB
SCHEMBL9312796 0.83 CYP2C19 (0.70) EPHX2CD274CYP2C19CYP2C9POLB
SCHEMBL9312802 0.83 CYP2C19 (0.71) EPHX2CD274CYP2C19CYP2C9POLB
SCHEMBL29658344 0.82 CD274 (0.66) EPHX2CD274CYP2C19POLBCYP1A2

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
CN-105073725-A Pyrazolyl-ureas as kinase inhibitors RESPIVERT LTD 2015-11-18 CN disclosed