SCHEMBL29670474

SCHEMBL29670474

Cc1cc2c(=O)[nH]c3c(CC(C)C)cnn3c2cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
BTK Q06187 1/20 0.34
PLAT P00750 4/20 0.32
AAK1 Q2M2I8 3/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL24469824 1.00 PARP1 (0.37) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL24469762 0.83 PLAT (0.37) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL24469869 0.81 PDE3B (0.44) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL24470000 0.68 PDE3B (0.42) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL24469998 0.64 PDE9A (0.43) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL24469822 0.63 PLAT (0.32) PLAT
SCHEMBL4051794 0.62 HPGD (0.58) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL22416468 0.62 NOS3 (0.40) KDM4EHPGDBTKCYP1A2
SCHEMBL4046309 0.61 HPGD (0.54) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL17051317 0.61 UHRF1 (0.39) KDM4EHPGDAAK1CYP1A2

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed