SCHEMBL28139265

SCHEMBL28139265

Cc1cc(C(=O)O)cc(C(=O)O)c1.Nc1cnn(Cc2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.53
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL28139274 0.90 HSD17B10 (0.51) KLKB1HSD17B10LMNAMAPTPOLB
SCHEMBL553565 0.80 HSD17B10 (0.59) KLKB1HSD17B10LMNAPOLBTDP1
SCHEMBL1979091 0.80 MAPT (0.65) KLKB1HSD17B10LMNAMAPTL3MBTL1
SCHEMBL28170055 0.79 HTT (0.60) KLKB1HSD17B10MAPTGAAMEN1
SCHEMBL28825241 0.75 KLKB1 (0.59) KLKB1
SCHEMBL12598742 0.74 MAPT (0.56) KLKB1LMNAMAPTTDP1L3MBTL1
SCHEMBL948453 0.74 HSD17B10 (0.61) KLKB1HSD17B10LMNAMAPTPOLB
SCHEMBL27259482 0.74 KLKB1 (0.51) KLKB1HSD17B10LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL20258138 0.74 HSD17B10 (0.51) KLKB1HSD17B10LMNAMAPTPOLB
SCHEMBL28104867 0.73 KLKB1 (0.40) KLKB1L3MBTL1

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-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 — — CN disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 — — CN disclosed
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