SCHEMBL25898358

SCHEMBL25898358

Clc1ccc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
CASP3 P42574 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 1/20 0.47
RCE1 Q9Y256 1/20 0.45
ADK P55263 1/20 0.45
PTPN1 P18031 7/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL25551888 0.97 SMN1; SMN2 (0.63) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL25554227 0.90 SMN1; SMN2 (0.58) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL25729949 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL25555841 0.87 MAPT (0.48) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL25551820 0.87 SMN1; SMN2 (0.61) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL2245016 0.84 PTPN1 (0.56) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL24546320 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL21000661 0.83 RCE1 (0.45) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL21000546 0.83 RCE1 (0.45) SMN1; SMN2CASP3SENP7SENP6KDM4E
SCHEMBL17281512 0.81 RCE1 (0.54) SMN1; SMN2CASP3SENP7SENP6KDM4E

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed