SCHEMBL7107730

SCHEMBL7107730

COc1cccc(-c2sc3ccccc3c2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.53
NAPEPLD Q6IQ20 1/20 0.53
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 3/20 0.48
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7106224 0.88 MAPT (0.55) ITGA4NAPEPLDL3MBTL1MAPTTDP1
SCHEMBL7106457 0.82 ITGA4 (0.53) ITGA4NAPEPLDL3MBTL1MAPTTDP1
SCHEMBL7666598 0.77 MCL1 (0.52) L3MBTL1MAPTTDP1RAB9AHPGD
SCHEMBL7101796 0.75 ESR1 (0.50) ITGA4NAPEPLDL3MBTL1ATMCNR1
SCHEMBL7107446 0.75 ITGA4 (0.44) ITGA4NAPEPLDL3MBTL1MAPTTDP1
SCHEMBL7936769 0.74 MAPT (0.59) L3MBTL1MAPTTDP1HPGDSMN1; SMN2
SCHEMBL7106562 0.73 ITGA4 (0.58) ITGA4NAPEPLDL3MBTL1MAPTTDP1
SCHEMBL7107022 0.71 L3MBTL1 (0.49) ITGA4NAPEPLDL3MBTL1MAPTTDP1
SCHEMBL11750818 0.71 NFKB1 (0.50) MAPTTDP1RAB9AHPGDNFKB1
SCHEMBL11751174 0.70 TDP1 (0.48) MAPTTDP1RAB9AHPGDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5952513-A TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5843965-A Benzo B! thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed