SCHEMBL7429720

SCHEMBL7429720

CCCSc1sc(C(=O)N2CCCC2)c2c1C(=O)C(=CO)C(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7429710 1.00 HPGD (0.32) HPGDALDH1A1LMNATSHRGABRA1
SCHEMBL7440268 0.92 HPGD (0.33) HPGDALDH1A1LMNATSHR
SCHEMBL7440274 0.92 HPGD (0.33) HPGDALDH1A1LMNATSHR
SCHEMBL7442942 0.86 NPSR1 (0.39) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7442946 0.86 NPSR1 (0.39) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7441294 0.85 NPSR1 (0.39) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7437284 0.84 LMNA (0.33) LMNANPSR1
SCHEMBL7446073 0.80 ALDH1A1 (0.33) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7446066 0.80 ALDH1A1 (0.33) HPGDALDH1A1LMNATSHRNPSR1
SCHEMBL7448893 0.80 GABRA1 (0.48) LMNAGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143773-A Substituted thienobenzisoxazole derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-11-07 US disclosed