SCHEMBL13645553

SCHEMBL13645553

CN1C=CC=CC1(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
MCL1 Q07820 2/20 0.39
PAX8 Q06710 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL18610582 0.79 OPRD1 (0.46) OPRM1
SCHEMBL16315798 0.73 GRIN1 (0.37) ALDH1A1LMNAL3MBTL1BACE1KDM4E
SCHEMBL15712045 0.67 BRD4 (0.40) LMNAGAAL3MBTL1KDM4EPOLB
SCHEMBL18808756 0.65
SCHEMBL14338838 0.64
SCHEMBL28635179 0.62 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1785876 0.62 ALDH1A1 (0.33) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL27550197 0.61 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27330773 0.61
SCHEMBL27658229 0.61

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
EP-2730583-B1 Iridium complexes with aza-benzo fused ligands UNIVERSAL DISPLAY CORP (US) 2016-01-13 EP disclosed
EP-2108690-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 EP disclosed