SCHEMBL21259968

SCHEMBL21259968

Cc1nc2c(c(=O)[nH]1)CCC(C)CCN2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ PARP3 Q9Y6F1 1/20 0.38
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ BRD4 O60885 2/20 0.31
▸ UHRF1 Q96T88 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL17518717 0.69 PARP1 (0.42) PARP1PARP15PARP3MAPTKDM4E
SCHEMBL12102081 0.66 ALDH1A1 (0.38) PARP1PARP15PARP3MAPTKDM4E
SCHEMBL14827803 0.65 — —
SCHEMBL2042295 0.65 — —
SCHEMBL3119493 0.64 PARP1 (0.47) PARP1PARP15PARP3CYP1A2HIF1A
SCHEMBL20954817 0.62 UHRF1 (0.42) PARP1MAPTUHRF1ALDH1A1HPGD
SCHEMBL18711836 0.62 PARP1 (0.62) PARP1PARP15PARP3MAPTKDM4E
SCHEMBL9377703 0.61 PARP1 (0.38) PARP1PARP15PARP3MAPTKDM4E
SCHEMBL15757443 0.59 UHRF1 (0.42) MAPTKDM4ECYP1A2HIF1AUHRF1
SCHEMBL30666618 0.59 PARP1 (0.42) PARP1PARP15PARP3MAPTKDM4E

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
WO-2019157146-A1 ALPHA POLYGLUTAMATED ANTIFOLATES AND USES THEREOF L.E.A.F. HOLDINGS GROUP LLC (US) 2019-08-15 — — WO disclosed
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