SCHEMBL6740524

SCHEMBL6740524

[CH2]c1ccc(-c2cnns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
RUNX1 Q01196 2/20 0.41
CBFB Q13951 2/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL224905 0.78 APP (0.48) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6740529 0.78 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6721322 0.74 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL12158655 0.74 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6742841 0.74 ALDH1A1 (0.42) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL10577638 0.74 KIF11 (0.44) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9133011 0.72 CSNK2A1 (0.51) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134795 0.68 IDO1 (0.42) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9134655 0.68 ALDH1A1 (0.58) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9826277 0.68 CYP2A6 (0.45) ALDH1A1GAAMAPTHPGDHTT

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 2 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-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed