SCHEMBL6743169

SCHEMBL6743169

[c]1ccc(OCn2nnc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
GLA P06280 1/20 0.51
SLC9A1 P19634 6/20 0.50
GRM2 Q14416 1/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL3463660 0.87 SLC9A1 (0.57) TSHRSLC9A1GRM2RAB9AMEN1
SCHEMBL7245160 0.84 SLC9A1 (0.46) TSHRGLASLC9A1GRM2RAB9A
SCHEMBL17125454 0.82 RAB9A (0.55) TSHRSLC9A1GRM2RAB9AMEN1
SCHEMBL7377696 0.76 MAPT (0.46) TSHRSLC9A1GRM2RAB9ANPC1
SCHEMBL2490707 0.75 RAB9A (0.50) TSHRSLC9A1GRM2RAB9AMEN1
SCHEMBL4056785 0.74 L3MBTL1 (0.55) TSHRMEN1KMT2ALMNAL3MBTL1
SCHEMBL5017651 0.74 SLC9A1 (0.59) TSHRGLASLC9A1GRM2RAB9A
SCHEMBL12001037 0.74 SLC9A1 (0.59) TSHRGLASLC9A1GRM2RAB9A
SCHEMBL2488643 0.74 SLC9A1 (0.65) TSHRGLASLC9A1GRM2RAB9A
SCHEMBL29479886 0.74 SLC9A1 (0.65) TSHRGLASLC9A1GRM2RAB9A

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
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed