SCHEMBL3343713

SCHEMBL3343713

Cc1cc(O)c2c(C)c(Cc3ccc4cc(F)ccc4n3)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.41
DAO P14920 3/20 0.38
DDO Q99489 2/20 0.38
TYMS P04818 3/20 0.37
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALKBH3 Q96Q83 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3351515 0.82 ALDH1A1 (0.44) PDE10APTGIRPTGDRPTGDR2HDAC1
SCHEMBL3350433 0.79 ALDH1A1 (0.43) DAODDOALKBH3KDM4EALDH1A1
SCHEMBL3344021 0.78 AKR1B1 (0.39) DAODDOPTGDR2
SCHEMBL3349053 0.70 ALDH1A1 (0.45) DAODDOPDE3BPDE3AALKBH3
SCHEMBL14317221 0.70 ALDH1A1 (0.44) DAODDOKDM4EALDH1A1HSD17B10
SCHEMBL3349142 0.69 ALDH1A1 (0.53) PDE10ADAODDOKDM4EALDH1A1
SCHEMBL3345086 0.68 ALKBH3 (0.42) DAODDOALKBH3KDM4EALDH1A1
SCHEMBL3344690 0.68 SMN1; SMN2 (0.49) DAOPDE3BPDE3AALKBH3KDM4E
SCHEMBL3349059 0.68 ALDH1A1 (0.46) DAOPDE3BPDE3AALKBH3KDM4E
SCHEMBL3344710 0.68 KDM4E (0.48) DAOKDM4EALDH1A1TSHR

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed