SCHEMBL9044986

SCHEMBL9044986

c1ccc2c(c1)[nH]c1cncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PARP1 P09874 1/20 0.42
GABRA5 P31644 3/20 0.39
HPGD P15428 2/20 0.36
TDO2 P48775 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DAO P14920 1/20 0.36
ACHE P22303 1/20 0.36
PSMB8 P28062 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
PIM1 P11309 1/20 0.36
TOP1 P11387 1/20 0.36

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
SCHEMBL30095396 0.77 PARP1 (0.59) POLBALDH1A1RXFP1PARP1GABRA5
SCHEMBL4763948 0.77 PARP1 (0.59) POLBALDH1A1RXFP1PARP1GABRA5
SCHEMBL31515495 0.75 PARP1 (0.48) PARP1GABRA5
SCHEMBL7369654 0.75 PARP1 (0.48) PARP1GABRA5
SCHEMBL29590166 0.71 POLB (0.38) POLBALDH1A1RXFP1PARP1HPGD
SCHEMBL1556616 0.69 ALDH1A1 (0.60) POLBALDH1A1RXFP1PARP1HPGD
SCHEMBL12850768 0.69 IDO1 (0.41) POLBALDH1A1GABRA5HPGDTDO2
SCHEMBL30273095 0.65 ADORA3 (0.45) ALDH1A1PARP1GABRA5HPGDSMN1; SMN2
SCHEMBL2274845 0.63 ADORA3 (0.37) POLBALDH1A1RXFP1PARP1GABRA5
SCHEMBL3212919 0.61 ALDH1A1 (0.46) POLBALDH1A1RXFP1PARP1GABRA5

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
JP-8262661-A None JP disclosed
JP-H08262661-A PHOTOGRAPHIC COUPLER KONICA CORP 1996-10-11 JP disclosed