SCHEMBL16711467

SCHEMBL16711467

C[C@@H]1N(CCN2c3ccccc3N(c3ccccc3)[C@H]2C)c2ccccc2N1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 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
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 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
SCHEMBL16709175 0.93 GAA (0.37) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL19156027 0.91 DRD2 (0.39) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL18054022 0.91 DRD2 (0.39) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16711464 0.89 GAA (0.33) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16709176 0.84 KDM4E (0.36) GAALMNAALDH1A1KDM4EHPGD
SCHEMBL12787319 0.83 GAA (0.39) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL24398363 0.80 GAA (0.44) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16711487 0.80 GAA (0.44) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11941264 0.80 GAA (0.44) GAASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16709177 0.75 KDM4E (0.47) GAALMNAALDH1A1KDM4EHPGD

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
Send feedback