Sugi Predict

Sugi Predict / Compounds / SCHEMBL13680993

SCHEMBL13680993

SCHEMBL13680993

O=CCCc1csc(-c2ccc3c(c2)COC3=O)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRF1 P14222 17/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL13681043 0.81 HSD17B1 (0.42) PRF1LMNASMN1; SMN2GAAMAPT
SCHEMBL14761456 0.81 PRF1 (0.65) PRF1ACHELMNAGAAMAPT
SCHEMBL13681013 0.79 PRF1 (0.43) PRF1LMNASMN1; SMN2
SCHEMBL13680620 0.78 PRF1 (0.55) PRF1HRH3ACHELMNAGAA
SCHEMBL13680994 0.77 SHMT1 (0.37) LMNASMN1; SMN2GAA
SCHEMBL13680985 0.76 PRF1 (0.52) PRF1ACHELMNAGAAMAPT
SCHEMBL13681010 0.74 PDE3B (0.50) HRH3SMN1; SMN2MAPT
SCHEMBL13680920 0.74 RAB9A (0.56) LMNASMN1; SMN2MAPT
SCHEMBL2018226 0.73 PRF1 (0.51) PRF1HRH3ACHE
SCHEMBL13681000 0.73 CRBN (0.40) LMNASMN1; SMN2MAPT

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 — — US disclosed