SCHEMBL9799463

SCHEMBL9799463

COc1cccc(-n2c(=O)c(CC(C)O)c(O)c3cccnc32)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
PDE4B Q07343 2/20 0.40
PDE4D Q08499 2/20 0.40
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 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
SCHEMBL9799559 0.88 CYP1A2 (0.44) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL10377449 0.86 PDE4A (0.51) ALDH1A1MAPTTSHRPDE4BPDE4D
SCHEMBL10422375 0.84 POLB (0.46) KAT2BSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL10378879 0.83 SMN1; SMN2 (0.45) KAT2BSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL10377267 0.82 KAT2B (0.42) KAT2BSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL10377279 0.82 SMN1; SMN2 (0.44) KAT2BSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL10379176 0.80 PKM (0.46) KAT2BSMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL8803476 0.78 PDE4A (0.55) ALDH1A1MAPTTSHRPDE4BPDE4D
SCHEMBL7282270 0.77 KAT2B (0.47) KAT2BSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL8804001 0.75 GRIN2D (0.47) KAT2BSMN1; SMN2POLBALDH1A1MAPT

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
US-4996212-A Antiinflammatory and anti-hyperproliferative compounds SCHERING CORPORATION (US) 1991-02-26 US disclosed
US-4859669-A Antiinflammatory and anti-hyperproliferative naphthyridin-4-ones SCHERING CORPORATION (US) 1989-08-22 US disclosed