SCHEMBL22112389

SCHEMBL22112389

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)cc4oc5ccccc5c34)cc2)cc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL24066177 0.97
SCHEMBL21116818 0.95 CYP1A2 (0.31)
SCHEMBL22112845 0.90
SCHEMBL22112382 0.89 TSHR (0.35) PLA2G2APLA2G4ATSHRKDM4EALDH1A1
SCHEMBL22112392 0.89 TSHR (0.35) PLA2G2APLA2G4ATSHRKDM4EALDH1A1
SCHEMBL22112395 0.89 TSHR (0.35) PLA2G2APLA2G4ATSHRKDM4EALDH1A1
SCHEMBL22112381 0.89 TSHR (0.35) PLA2G2APLA2G4ATSHRKDM4EALDH1A1
SCHEMBL22112390 0.89 BRDT (0.32)
SCHEMBL25980515 0.89
SCHEMBL24066137 0.88 ALDH1A1 (0.34) PLA2G2APLA2G4ATSHRKDM4EALDH1A1

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