SCHEMBL28068499

SCHEMBL28068499

COc1ccc(C(=O)C(C)OC(=O)c2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ TDP1 Q9NUW8 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL27907449 0.84 L3MBTL1 (0.53) KMT2AMAPTALDH1A1MEN1POLB
SCHEMBL27907456 0.83 KMT2A (0.56) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL6222897 0.80 KMT2A (0.82) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL31359582 0.78 TDP1 (0.58) LMNACYP1A2TDP1KMT2AMAPT
SCHEMBL698001 0.78 CA1 (0.58) CYP1A2KMT2AMAPTALDH1A1MEN1
SCHEMBL7229213 0.78 MAPT (0.63) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7229777 0.76 MAPT (0.64) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL28034404 0.76 LMNA (1.00) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL11266531 0.76 CES2 (0.57) LMNACYP1A2TDP1KMT2AMAPT
SCHEMBL11815884 0.76 CES2 (0.76) LMNACYP1A2SMN1; SMN2CYP2C9CYP2C19

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-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 — — CN claimed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 — — CN disclosed
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