SCHEMBL16711464

SCHEMBL16711464

C[C@@H]1N(CN2c3ccccc3N(c3ccccc3)[C@H]2C)c2ccccc2N1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ G6PD P11413 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PTPN2 P17706 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
SCHEMBL16709176 0.92 KDM4E (0.36) GAAGPR3LMNAPTPN2PTPN1
SCHEMBL16711467 0.89 GAA (0.33) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18054022 0.84 DRD2 (0.39) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL19156027 0.84 DRD2 (0.39) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL12787319 0.83 GAA (0.39) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL16709175 0.82 GAA (0.37) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL18020953 0.79 ALDH1A1 (0.38) SMN1; SMN2NPSR1MEN1KMT2AHSD11B1
SCHEMBL16711468 0.79 KMT2A (0.34) MEN1KMT2ALMNA
SCHEMBL24398363 0.76 GAA (0.44) GAAPOLBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL16711487 0.76 GAA (0.44) GAAPOLBSMN1; SMN2CYP1A2CYP2C9

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-9306179-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-04-05 — — US disclosed
US-20150129840-A1 OSMIUM COMPLEXES COMPRISING THREE DIFFERENT BIDENTATE LIGANDS AND METHOD OF MAKING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2015-05-14 — — US disclosed
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