SCHEMBL9799715

SCHEMBL9799715

COc1ccc(N2CCc3c2c2cccnc2n(-c2ccccc2)c3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 2/20 0.47
RAD52 P43351 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
KAT2B Q92831 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FEN1 P39748 1/20 0.42

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
SCHEMBL9799632 0.90 FEN1 (0.50) ALDH1A1LMNAKDM4EGLAGAA
SCHEMBL9799505 0.77 MEN1 (0.47) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL9799506 0.76 PDE4A (0.54) ALDH1A1KDM4EMAPTPDE4APDE4B
SCHEMBL9799533 0.76 FEN1 (0.50) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL9628888 0.75 PKM (0.47) ALDH1A1LMNAPKMMAPTPDE4A
SCHEMBL10378764 0.75 KAT2B (0.48) ALDH1A1LMNAPKMMAPTPDE4A
SCHEMBL9799507 0.74 PDE4A (0.50) ALDH1A1LMNAKDM4ENPC1MAPT
SCHEMBL9629703 0.74 PKM (0.45) ALDH1A1LMNAPKMMAPTPDE4B
SCHEMBL8803998 0.72 KMT2A (0.54) ALDH1A1LMNAPKMMAPTPDE4A
SCHEMBL10379024 0.72 PKM (0.45) ALDH1A1LMNAKDM4EPKMMAPT

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 claimed
US-4859669-A Antiinflammatory and anti-hyperproliferative naphthyridin-4-ones SCHERING CORPORATION (US) 1989-08-22 US disclosed