SCHEMBL95295

SCHEMBL95295

CN(Cc1ccccc1O)CN(C)Cc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.50
CYP2D6 P10635 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
IDO1 P14902 2/20 0.42
CA9 Q16790 2/20 0.41
MPO P05164 1/20 0.41
KEAP1 Q14145 1/20 0.41
CHRM2 P08172 1/20 0.41
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL862811 0.91 HSPA5 (0.54) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL31404242 0.91 HSPA5 (0.54) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL14700463 0.88 LIPG (0.41) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL15483812 0.87 HSPA5 (0.50) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL24011665 0.85 HTR2A (0.49) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL862808 0.85 HSPA5 (0.48) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL14424853 0.83 CYP2D6 (0.50) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL116610 0.82 ALDH1A1 (0.56) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL29354255 0.82 ALDH1A1 (0.56) HSPA5CYP2D6TSHRHIF1AHTR1A
SCHEMBL12858626 0.82 MEN1 (0.53) HSPA5CYP2D6TSHRHIF1AHTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580916-B2 Stable solution of the polymer prepared from N,O-heterocycles and its preparation method and use TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2013-11-12 US disclosed
US-20120097437-A1 Resin Composition, and Prepreg and Printed Circuit Board Prepared Using the Same TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2012-04-26 US disclosed
US-20120059096-A1 Stable Solution of the Polymer Prepared from N,O-Heterocycles and its Preparation Method and Use TAIWAN UNION TECHNOLOGY CORPORATION (TW) 2012-03-08 US disclosed