SCHEMBL15469780

SCHEMBL15469780

c1ccc(N(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 6/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CDK8 P49336 1/20 0.32
P2RX1 P51575 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.32
APP P05067 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
SCHEMBL15469757 0.98 MAPT (0.34) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL15469782 0.98 MAPT (0.34) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL23873042 0.96 P2RX4 (0.33) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL13125120 0.94 P2RX4 (0.32) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL6123858 0.94 ALDH1A1 (0.37) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15469844 0.93 FAAH (0.34) P2RX4MAPTCDK8P2RX1SMN1; SMN2
SCHEMBL15469761 0.93 P2RX4 (0.31) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL15469758 0.93 P2RX4 (0.31) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL15469883 0.92 P2RX4 (0.31) P2RX4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL15672198 0.92 FAAH (0.33) P2RX4CDK8

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-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed