SCHEMBL28581571

SCHEMBL28581571

O=S(=O)(Oc1cccc2cccnc12)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.78
METAP1 P53582 2/20 0.78
GLRA3 O75311 2/20 0.60
GLO1 Q04760 2/20 0.57
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
MMP2 P08253 1/20 0.49
GLRB P48167 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL250575 0.88 METAP2 (1.00) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL30309411 0.88 METAP2 (1.00) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL27974930 0.87 METAP2 (0.76) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL3263766 0.87 METAP2 (0.76) METAP2METAP1GLRA3MEN1KMT2A
SCHEMBL18419283 0.82 METAP2 (0.69) METAP2METAP1GLO1MEN1KMT2A
SCHEMBL10815877 0.80 METAP2 (0.65) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL30833568 0.80 METAP2 (0.65) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL19568045 0.80 METAP2 (0.65) METAP2METAP1GLRA3GLO1MEN1
SCHEMBL7257985 0.79 METAP2 (0.69) METAP2METAP1GLRA3MEN1NPC1
Potassium Ion SCHEMBL30016842 0.78 METAP2 (0.63) METAP2METAP1GLRA3GLO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568821-B Wearable air purifier for preventing allergy of dust mites 上海纳米技术及应用国家工程研究中心有限公司 2021-05-04 CN claimed
CN-109568821-B Wearable air purifier for preventing allergy of dust mites 上海纳米技术及应用国家工程研究中心有限公司 2021-05-04 CN disclosed
CN-109568821-B Wearable air purifier for preventing allergy of dust mites 上海纳米技术及应用国家工程研究中心有限公司 2021-05-04 CN disclosed