SCHEMBL170978

SCHEMBL170978

O=C(c1ccccc1)c1c(O)c2ccccc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
FOLH1 Q04609 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.46
PTK2B Q14289 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
P2RX4 Q99571 1/20 0.42
MAPK1 P28482 2/20 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
SCHEMBL11421766 0.83 KMT2A (0.54) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL169759 0.83 KMT2A (0.45) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL9537285 0.78 MAPK8 (0.56) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL3331741 0.76 L3MBTL1 (0.61) KMT2AKDM4EL3MBTL1ATMALDH1A1
SCHEMBL31356468 0.76 L3MBTL1 (0.61) KMT2AKDM4EL3MBTL1ATMALDH1A1
SCHEMBL22559918 0.75 L3MBTL1 (0.50) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL11415985 0.74 KDM4E (0.47) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL22559945 0.73 L3MBTL1 (0.49) KMT2AKDM4EL3MBTL1ATMALDH1A1
SCHEMBL22559943 0.73 L3MBTL1 (0.52) KMT2AKDM4EL3MBTL1ATMFOLH1
SCHEMBL13780969 0.73 L3MBTL1 (0.57) KMT2AKDM4EL3MBTL1ATMFOLH1

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-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed