SCHEMBL15469883

SCHEMBL15469883

c1ccc(N(c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.31
CDK8 P49336 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15469931 0.97 FAAH (0.31) P2RX4CDK8ALDH1A1
SCHEMBL13125120 0.97 P2RX4 (0.32) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469856 0.97 P2RX4 (0.32) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL14934719 0.97 P2RX4 (0.32) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469758 0.96 P2RX4 (0.31) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469761 0.96 P2RX4 (0.31) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469864 0.96 FAAH (0.32) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469887 0.96 P2RX4 (0.31) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469865 0.96 FAAH (0.32) P2RX4CDK8KDM4EALDH1A1CYP1A2
SCHEMBL15469783 0.95 FAAH (0.33) ALDH1A1

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