SCHEMBL4797274

SCHEMBL4797274

NC(=O)Cc1ccc(-n2cnnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KCNJ1 P48048 4/20 0.58
MAPT P10636 2/20 0.56
NOTUM Q6P988 2/20 0.51
F2 P00734 1/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2730326 0.87 QPCT (0.60) POLBBLMTDP1KCNJ1MAPT
SCHEMBL9518785 0.85 KCNJ1 (0.66) POLBBLMTDP1KCNJ1MAPT
SCHEMBL18530872 0.79 MAPT (0.56) POLBBLMTDP1KCNJ1MAPT
SCHEMBL3328195 0.79 KCNJ1 (0.71) POLBBLMTDP1KCNJ1MAPT
SCHEMBL1449005 0.79 MAPT (0.63) POLBBLMTDP1KCNJ1MAPT
SCHEMBL11768462 0.79 NOTUM (0.58) POLBBLMTDP1KCNJ1MAPT
SCHEMBL9969614 0.79 NOTUM (0.54) POLBBLMTDP1NOTUM
SCHEMBL12615985 0.78 NOTUM (0.78) POLBBLMTDP1KCNJ1MAPT
SCHEMBL2731943 0.77 KCNH2 (0.63) KCNJ1ALDH1A1HPGDKCNH2
SCHEMBL2732692 0.77 KCNH2 (0.63) KCNJ1KCNH2

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-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed