SCHEMBL9968048

SCHEMBL9968048

c1ccc(-n2c3ncccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cnc5c(c4)c4cccnc4n5-c4ccccc4)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.45
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
LDHA P00338 1/20 0.41
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
KDM4E B2RXH2 1/20 0.38
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
REN P00797 2/20 0.34

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
SCHEMBL9968049 0.91 FEN1 (0.35) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL15762303 0.79 FEN1 (0.41) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL17463353 0.79 L3MBTL1 (0.42) FEN1CYP2C19ALDH1A1TSHRKDM4E
SCHEMBL17463350 0.78 ALDH1A1 (0.45) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL17463361 0.78 KDM4E (0.45) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL15753361 0.77 FEN1 (0.39) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL17463422 0.77 FEN1 (0.40) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL9968141 0.77 ALDH1A2 (0.32) ALDH1A1MAPT
SCHEMBL19837792 0.77 KDM4E (0.46) FEN1CYP2C19ALDH1A1TSHRLDHA
SCHEMBL9968164 0.77 KDM4E (0.46) FEN1CYP2C19ALDH1A1TSHRLDHA

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed