SCHEMBL8009754

SCHEMBL8009754

O=[N+]([O-])c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1/C=C/N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
APP P05067 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8009758 1.00 POLB (0.55) POLBCTSVCTSLMEN1KMT2A
SCHEMBL9413338 0.91 POLB (0.51) POLBCTSVCTSLMEN1KMT2A
SCHEMBL30193123 0.91 POLB (0.51) POLBCTSVCTSLMEN1KMT2A
SCHEMBL9413339 0.91 POLB (0.51) POLBCTSVCTSLMEN1KMT2A
SCHEMBL1494020 0.88 POLB (0.48) POLBCTSVCTSLMEN1KMT2A
SCHEMBL6193768 0.85 BACE1 (0.60) POLBMEN1KMT2AMAPTBACE1
SCHEMBL6193762 0.85 BACE1 (0.60) POLBMEN1KMT2AMAPTBACE1
SCHEMBL6195510 0.85 BACE1 (0.49) POLBCTSVCTSLMEN1KMT2A
SCHEMBL6195516 0.85 BACE1 (0.49) POLBCTSVCTSLMEN1KMT2A
SCHEMBL8010330 0.83 TLR4 (0.54) POLBCTSVCTSLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6228093-A None JP disclosed
US-6160127-A Process for the preparation of substituted indoles BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-12 US disclosed
EP-0972763-A1 Process for the preparation of substituted indoles Bristol-Myers Squibb Company (US) 2000-01-19 EP disclosed
EP-0598383-B1 Process for the preparation of 5,6-diacetoxyindole BRISTOL MYERS SQUIBB CO (US) 1999-02-03 EP disclosed
JP-H06228093-A PREPARATION OF 5,6-DIACETOXYINDOLE BRISTOL MYERS SQUIBB CO 1994-08-16 JP disclosed
EP-0598383-A1 Process for the preparation of 5,6-diacetoxyindole Bristol-Myers Squibb Company (US) 1994-05-25 EP disclosed
US-5262546-A Process for the preparation of 5,6-diacetoxyindole CLAIROL, INC. (US) 1993-11-16 US disclosed