SCHEMBL11266148

SCHEMBL11266148

C=CN(Cc1ccccc1)C(C)CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19776798 0.79 TSHR (0.45) MEN1KMT2ATSHRADRA2BADRA2C
Hydrochloric Acid SCHEMBL9876959 0.77 TSHR (0.43) MEN1KMT2ATSHRADRA2BADRA2C
SCHEMBL11223925 0.74 LMNA (0.34) MEN1KMT2AHPGDALDH1A1
SCHEMBL11235921 0.72 CA12 (0.37) OPRK1L3MBTL1ALDH1A1
SCHEMBL21943107 0.71 TSHR (0.41) MEN1KMT2ATSHRADRA2BADRA2C
SCHEMBL10490940 0.71 ALDH1A1 (0.38) MEN1KMT2ATSHRADRA2BADRA2C
SCHEMBL11218968 0.70 TDP1 (0.38) CNR2
SCHEMBL4441748 0.69 CA2 (0.44) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL2046868 0.69 MEN1 (0.49) MEN1KMT2ATSHRADRA2BADRA2C
Vinylsulfonic Acid SCHEMBL7524551 0.68 TSHR (0.61) MEN1KMT2ATSHRALDH1A1CA2

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
US-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 US disclosed