SCHEMBL15469757

SCHEMBL15469757

c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2ccccc2N3c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX4 Q99571 8/20 0.34
CDK8 P49336 1/20 0.33
P2RX1 P51575 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL15469782 1.00 MAPT (0.34) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15469780 0.98 P2RX4 (0.33) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL23873042 0.97 P2RX4 (0.33) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL13125120 0.96 P2RX4 (0.32) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL6123858 0.95 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15469761 0.94 P2RX4 (0.31) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15469758 0.94 P2RX4 (0.31) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15469883 0.93 P2RX4 (0.31) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL15469815 0.93 P2RX4 (0.32) MAPTP2RX4CDK8P2RX1SMN1; SMN2
SCHEMBL15469843 0.93 P2RX4 (0.32) MAPTP2RX4CDK8P2RX1SMN1; SMN2

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