SCHEMBL8801877

SCHEMBL8801877

CCCCn1c([Sn](CCCC)(CCCC)CCCC)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.47
ALDH1A1 P00352 5/20 0.43
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 3/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
ABCC2 Q92887 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8802333 0.94 TLR8 (0.49) TLR8ALDH1A1CNR2CNR1SMN1; SMN2
SCHEMBL1256058 0.84 KMT2A (0.41) TLR8ALDH1A1KDM4EHPGDMEN1
SCHEMBL8802775 0.82 CNR2 (0.36) TLR8ALDH1A1KDM4ECNR2CNR1
SCHEMBL8802303 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL8801615 0.78 HTR4 (0.37) TLR8CNR2SMN1; SMN2
SCHEMBL6867352 0.77 CNR2 (0.34) TLR8ALDH1A1KDM4EGAAHPGD
SCHEMBL6997572 0.77 NPC1 (0.39) TLR8ALDH1A1KDM4EGAAHPGD
SCHEMBL30628011 0.76 MEN1 (0.64) TLR8ALDH1A1PGRRORARORC
SCHEMBL4220374 0.76 MEN1 (0.64) TLR8ALDH1A1PGRRORARORC
SCHEMBL2551398 0.75 OXER1 (0.50) TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed