SCHEMBL18976163

SCHEMBL18976163

Bc1cn(S(=O)(=O)c2ccc(C)cc2)nc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
MAPT P10636 7/20 0.62
LMNA P02545 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.55
MAPK1 P28482 2/20 0.47
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
HTT P42858 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 3/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL18976171 0.81 MEN1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL18976162 0.81 MEN1 (0.67) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3685134 0.71 MEN1 (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1278809 0.71 MEN1 (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5055447 0.71 MEN1 (0.54) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5062979 0.70 KMT2A (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL18976161 0.69 MEN1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL4993025 0.68 GRM4 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL22588774 0.68 MAPT (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL28216516 0.67 MAPT (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2

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-2017097224-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-15 WO disclosed