SCHEMBL28037256

SCHEMBL28037256

CC(Cl)Oc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.49
CHRNA4 P43681 6/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL29854164 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL4946642 0.83 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL28267775 0.81 LMNA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL14477064 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL1515202 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL27974640 0.80 LMNA (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL2485031 0.80 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL7751257 0.79 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL11911979 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL12549630 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
CN-105153020-A Preparation method for aromatic azide Hunan huateng pharmaceutical co ltd 2015-12-16 CN disclosed