SCHEMBL11511490

SCHEMBL11511490

O=C(OCc1ccccc1)c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
TDP1 Q9NUW8 4/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
LMNA P02545 3/20 0.66
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
ESR1 P03372 1/20 0.49

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
Benzyl Benzoate SCHEMBL3894643 0.87 KMT2A (0.82) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL18467576 0.86 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.85 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8761637 0.84 CA2 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL782048 0.84 TDP1 (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL19720791 0.83 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.81 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.81 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.81 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL24590353 0.81 KMT2A (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020063821-A1 POLYPEPTIDE CONJUGATE OF ODN OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京和理咨询有限公司 2020-04-02 WO disclosed
US-20190352566-A1 CHIRAL COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME, OPTICALLY ANISOTROPIC BODY, AND LIQUID CRYSTAL DISPLAY DEVICE SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-11-21 US disclosed
US-10457870-B1 Chiral compound, liquid crystal composition containing the same, optically anisotropic body, and liquid crystal display device SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-10-29 US disclosed
US-4136253-A ANTIBIOTICS PFIZER INC. (US) 1979-01-23 US disclosed