SCHEMBL25975703

SCHEMBL25975703

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc5oc6ccccc6c45)cc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 9/20 0.35
TSHR P16473 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HPGD P15428 3/20 0.33
PDE5A O76074 2/20 0.33
KDM1A O60341 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL26571769 0.98 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL22112848 0.96 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL22112846 0.96 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL24255397 0.95 MAPT (0.35) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL24255391 0.95 MAPT (0.35) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL26415417 0.95 MAPT (0.35) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL24255399 0.94 MAPT (0.35) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL24899572 0.93 POLB (0.34) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL25666430 0.93 POLB (0.34) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL26415455 0.93 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBMAPTTSHR

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-2023149718-A1 ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-08-10 WO disclosed