SCHEMBL11580446

SCHEMBL11580446

O=C1c2cccc(Cl)c2C(=O)c2c(Oc3ccccc3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
KCNA3 P22001 1/20 0.49
DPP4 P27487 1/20 0.47
NSD2 O96028 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TLR9 Q9NR96 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H2 P55055 1/20 0.42
AR P10275 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAPDH P04406 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11296482 0.95 ADORA2A (0.51) ADORA2AKCNA3DPP4NSD2HSP90AA1
SCHEMBL10583717 0.90 ADORA2A (0.55) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL10546429 0.90 ADORA2A (0.58) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL1764840 0.85 ADORA2A (0.66) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL10927218 0.85 ADORA2A (0.60) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL11108532 0.83 CES2 (0.53) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL11580911 0.81 ADORA2A (0.59) ADORA2AKCNA3NSD2HKDC1POLB
SCHEMBL11580802 0.81 ALDH1A1 (0.49) KCNA3NSD2MAPTKMT2AMEN1
SCHEMBL9241413 0.79 ADORA2A (0.55) ADORA2AKCNA3NSD2HSP90AA1HKDC1
SCHEMBL122441 0.79 NSD2 (0.62) ADORA2ANSD2MAPTKMT2AMEN1

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
US-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed