SCHEMBL19859837

SCHEMBL19859837

CC(CNC(=O)O)Cc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.44
▸ TBXAS1 P24557 2/20 0.41
▸ TAAR1 Q96RJ0 7/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL3684536 0.78 TBXAS1 (0.43) TBXAS1TAAR1FPR2GAASMN1; SMN2
SCHEMBL18689330 0.75 FPR2 (0.55) NAMPTFPR2SMN1; SMN2KDM4E
SCHEMBL6269200 0.75 TAAR1 (0.44) TBXAS1TAAR1FDPSHTR1A
SCHEMBL467243 0.75 TAAR1 (0.44) TBXAS1TAAR1FDPSHTR1A
SCHEMBL6451096 0.75 FPR2 (0.55) TBXAS1TAAR1FPR2GAASMN1; SMN2
SCHEMBL26965318 0.74 MMP1 (0.41) TBXAS1TAAR1FPR2GAASMN1; SMN2
SCHEMBL27122522 0.74 MMP1 (0.41) TBXAS1TAAR1FPR2GAASMN1; SMN2
SCHEMBL4129705 0.73 TXN (0.47) TBXAS1TAAR1SMN1; SMN2FDPSHTR1A
SCHEMBL7426540 0.72 TERT (0.54) NAMPTTBXAS1TAAR1FPR2GAA
SCHEMBL7511041 0.72 TBXAS1 (0.46) TBXAS1TAAR1FPR2GAASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497098-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2019-06-19 — — EP disclosed
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 — — WO disclosed
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