SCHEMBL7536240

SCHEMBL7536240

CCCCCc1cccc2c[nH]cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.43
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
OXER1 Q8TDS5 1/20 0.39

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
SCHEMBL30239860 0.95 TAAR1 (0.39) TLR8BIDMCL1BCL2L1BAK1
SCHEMBL27448488 0.84 MEN1 (0.35) MCL1
SCHEMBL3886508 0.80 GABRA1 (0.41)
SCHEMBL460016 0.78 BCHE (0.52) TLR8LIPGKCNH2
SCHEMBL29694145 0.78 BCHE (0.52) TLR8LIPGKCNH2
SCHEMBL5159102 0.77 MEN1 (0.60) TLR8MCL1OXER1
SCHEMBL284530 0.77 LIPG (0.55) TLR8LIPGKCNH2
SCHEMBL1798754 0.77 LIPG (0.55) TLR8LIPGKCNH2
SCHEMBL284581 0.77 LIPG (0.55) TLR8LIPGKCNH2
SCHEMBL284785 0.77 LIPG (0.55) TLR8LIPGKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740657-B1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMA CORP (US) 2002-03-06 EP disclosed
EP-0690842-B1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMA CORP (US) 1998-12-16 EP disclosed
EP-0690842-B1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMA CORP (US) 1998-12-16 EP disclosed
EP-0740657-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-11-06 EP disclosed
US-5543530-A 4-arylisoindole analgesics ORTHO PHARMACEUTICAL CORPORATION (US) 1996-08-06 US disclosed
US-5543530-A 4-arylisoindole analgesics ORTHO PHARMACEUTICAL CORPORATION (US) 1996-08-06 US disclosed
CN-1123546-A 4-arylisoindole analgesics ORTHO PHARMA CORP (US) 1996-05-29 CN disclosed
CN-1123546-A 4-arylisoindole analgesics ORTHO PHARMA CORP (US) 1996-05-29 CN disclosed
CN-1123546-A 4-arylisoindole analgesics ORTHO PHARMA CORP (US) 1996-05-29 CN disclosed
US-5508424-A REDUCED SIDE EFFECTS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
US-5508424-A REDUCED SIDE EFFECTS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
US-5508424-A REDUCED SIDE EFFECTS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed
EP-0690842-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-01-10 EP disclosed
EP-0690842-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-01-10 EP disclosed
WO-1995017384-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1995-06-29 WO disclosed
WO-1994022823-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed
WO-1994022823-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed