SCHEMBL6982057

SCHEMBL6982057

NNc1nc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.48
▸ CNR1 P21554 1/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ MAOB P27338 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL8081766 0.78 NUDT1 (0.59) CNR2CNR1DHODHMETAP2NUDT1
SCHEMBL1170898 0.78 DHODH (0.54) CNR2CNR1DHODHPARP1
SCHEMBL11767146 0.77 MAOB (0.70) CNR2CNR1MAOBADORA2AADORA2B
SCHEMBL31027957 0.76 DHODH (0.59) CNR2DHODHPARP1
SCHEMBL11705160 0.75 MAOB (0.63) CNR2CNR1MAOBADORA2AADORA2B
SCHEMBL6984307 0.75 MGAM (0.49) —
SCHEMBL2010618 0.75 CNR2 (0.48) CNR2CNR1DHODHNPY5RPARP1
SCHEMBL7146754 0.75 DHODH (0.62) CNR2DHODHPARP1
SCHEMBL21855798 0.75 ADORA1 (0.56) MAOBADORA2AADORA2BADORA1PARP1
SCHEMBL9306889 0.75 NPC1 (0.50) CNR2CNR1DHODHNPY5RMETAP2

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-1286987-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-03-05 — — EP disclosed
WO-2001094340-A1 HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) 2001-12-13 — — WO disclosed
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