SCHEMBL6236381

SCHEMBL6236381

O=C(O)Oc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ ATM Q13315 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL9414595 0.85 KMT2A (0.54) LMNAATMNPSR1POLBALDH1A1
SCHEMBL9675030 0.85 PARP1 (0.53) LMNAATMNPSR1POLBALDH1A1
SCHEMBL1542104 0.82 SMN1; SMN2 (0.55) LMNAATMNPSR1POLBALDH1A1
SCHEMBL1563249 0.81 KDM4E (0.50) ALDH1A1SMN1; SMN2CYP1A2KDM4EMAPK1
SCHEMBL8767256 0.80 SMN1; SMN2 (0.57) LMNANPSR1POLBALDH1A1L3MBTL1
SCHEMBL28917493 0.77 SMN1; SMN2 (0.50) LMNAPOLBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9044915 0.77 KDM4E (0.53) LMNAATMALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8213702 0.77 PDE4A (0.54) LMNAATMNPSR1POLBALDH1A1
SCHEMBL2446205 0.73 KDM4E (0.65) LMNAATMNPSR1POLBALDH1A1
SCHEMBL3317724 0.72 POLB (0.55) LMNAATMNPSR1POLBALDH1A1

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-1532149-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 — — EP disclosed
WO-2004018468-A2 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 — — WO disclosed
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