SCHEMBL31400333

SCHEMBL31400333

CCOC(=O)c1cc(Br)nn1C(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.47
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL21587690 0.80 ELANE (0.38) ELANETSHRL3MBTL1SMN1; SMN2POLB
SCHEMBL20269905 0.80 LMNA (0.50) ELANEHTTL3MBTL1SMN1; SMN2POLB
SCHEMBL23213997 0.74 KMT2A (0.39) ELANESMN1; SMN2POLBALDH1A1MAPT
SCHEMBL24277763 0.74 SMN1; SMN2 (0.42) ELANEL3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL15520448 0.72 ALDH1A1 (0.60) HTTSMN1; SMN2POLBALDH1A1CA9
SCHEMBL6415151 0.72 LMNA (0.56) HSD17B10SMN1; SMN2POLBALDH1A1MAPT
SCHEMBL6420806 0.72 ALDH1A1 (0.51) ELANEHTTSMN1; SMN2POLBALDH1A1
SCHEMBL31317461 0.72 ELANE (0.49) ELANETSHRHTTHSD17B10L3MBTL1
SCHEMBL25298726 0.71 TNF (0.44) HSD17B10SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL15273732 0.70 SMN1; SMN2 (0.48) ELANETSHRHSD17B10L3MBTL1SMN1; 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
CN-119585273-A CD73 inhibitor compounds 阿道尔克斯治疗有限公司 2025-03-07 — — CN disclosed
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