SCHEMBL7529469

SCHEMBL7529469

S=C=NC12CCC(CC1)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.33

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
SCHEMBL18652968 0.79
SCHEMBL7785949 0.76 HSD11B1 (0.33)
SCHEMBL457124 0.75 SIGMAR1 (0.33) APLNR
SCHEMBL1808280 0.71 HSD11B1 (0.33)
SCHEMBL7221175 0.71 HSD11B1 (0.33)
SCHEMBL1512245 0.67
SCHEMBL9492073 0.67
SCHEMBL29037442 0.62 TGM2 (0.31) APLNR
SCHEMBL3078856 0.62 SIGMAR1 (0.35)
SCHEMBL295067 0.60 HSD11B1 (0.32)

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
WO-2002002190-A2 PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES BY GLUTATHIONE AND PHASE II DETOXIFICATION ENZYMES JOHNS HOPKINS SCHOOL OF MEDICINE (US) 2002-01-10 WO disclosed
WO-1994019948-A9 CHEMOPROTECTIVE ISOTHIOCYANATES 1994-11-10 WO disclosed