SCHEMBL22112833

SCHEMBL22112833

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4)c4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 8/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
AHR P35869 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
HCRTR1 O43613 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE5A O76074 2/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 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
SCHEMBL22112848 0.94 ALDH1A1 (0.37) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL24256024 0.94 POLB (0.32) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL24066183 0.94 ALDH1A1 (0.34) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL26571769 0.93 ALDH1A1 (0.36) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL24066143 0.93 MMP12 (0.33) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL26778865 0.92 KDM4E (0.34) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL22112846 0.92 ALDH1A1 (0.37) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL24899572 0.91 POLB (0.34) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL25666430 0.91 POLB (0.34) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL25975703 0.91 ALDH1A1 (0.36) KDM4EALDH1A1POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020122576-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, METHOD FOR MANUFACTURING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER 엘티소재주식회사 2020-06-18 WO disclosed