SCHEMBL16709175

SCHEMBL16709175

C[C@H]1N(C)c2ccccc2N1CCN1c2ccccc2N(c2ccccc2)[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ BRD4 O60885 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
SCHEMBL16711467 0.93 GAA (0.33) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL16709176 0.92 KDM4E (0.36) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL24398363 0.86 GAA (0.44) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL11941264 0.86 GAA (0.44) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL16711487 0.86 GAA (0.44) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL16709177 0.86 KDM4E (0.47) GAAKDM4EALDH1A1HPGDALOX12
SCHEMBL18054022 0.85 DRD2 (0.39) GAAALDH1A1LMNACYP1A2CYP2C9
SCHEMBL19156027 0.85 DRD2 (0.39) GAAALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16711464 0.82 GAA (0.33) GAAPTPN2PTPN1LMNAGPR3
SCHEMBL12787319 0.78 GAA (0.39) GAAKDM4EALDH1A1HPGDALOX12

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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