SCHEMBL28295645

SCHEMBL28295645

Clc1ccc(CNC(CCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
AKT1 P31749 1/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44

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
SCHEMBL7242928 0.90 SMN1; SMN2 (0.59) ATML3MBTL1CYP2D6SMN1; SMN2KCNH2
SCHEMBL4459857 0.84 ATM (0.55) ATML3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL28295643 0.84 SMN1; SMN2 (0.54) ATML3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL8091287 0.81 L3MBTL1 (0.57) ATML3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL5265845 0.80 BCHE (0.69) MEN1KMT2ABCHEPOLBMAPK1
SCHEMBL28968156 0.79 MAPT (0.52) ATML3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL6514671 0.78 ATM (0.66) ATML3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL11361690 0.76 PPARG (0.52) ATML3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL12971335 0.76 KCNH2 (0.48) CYP2D6SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL2191437 0.75 SMN1; SMN2 (0.57) ATML3MBTL1SMN1; SMN2MEN1KMT2A

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-106749077-B A method of synthesis oxazoline compound 广西师范大学 2019-05-21 CN disclosed