SCHEMBL9385489

SCHEMBL9385489

O=c1ccn(-c2ccccn2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
PDE5A O76074 1/20 0.43
PDE4A P27815 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE1C Q14123 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 1/20 0.41
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
MAPT P10636 1/20 0.40
RPS6KA5 O75582 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30297960 1.00 GAA (0.47) GAAMAPK1POLBPDE5APDE4A
SCHEMBL26685153 0.83 RPS6KA5 (0.53) GAAMAPK1PDE5APDE4APDE1A
SCHEMBL28469348 0.79 POLB (0.46) GAAMAPK1POLBSMN1; SMN2HTR7
SCHEMBL19337066 0.78 RPS6KA5 (0.61) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL28460368 0.75 POLB (0.46) POLBSMN1; SMN2HTR7RPS6KA5RAB9A
SCHEMBL28459603 0.75 POLB (0.46) GAAMAPK1POLBHTR7MAPT
SCHEMBL28679956 0.75 POLB (0.46) GAAMAPK1POLBHTR7MAPT
SCHEMBL31107087 0.75 CDC7 (0.60) POLBMAPTRPS6KA5RAB9AALDH1A1
SCHEMBL524138 0.75 CDC7 (0.60) POLBMAPTRPS6KA5RAB9AALDH1A1
SCHEMBL29388549 0.75 CDC7 (0.60) POLBMAPTRPS6KA5RAB9AALDH1A1

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-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed