SCHEMBL9056068

SCHEMBL9056068

CCCCCN=Nc1cccc(S)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 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
SCHEMBL3432777 0.78 ALDH1A1 (0.44)
SCHEMBL3432776 0.78 ALDH1A1 (0.44)
SCHEMBL10431202 0.77 ALDH1A1 (0.42) KCNH2
SCHEMBL3195894 0.77 ALDH1A1 (0.42) KCNH2
SCHEMBL10431203 0.77 ALDH1A1 (0.42) KCNH2
SCHEMBL6686250 0.77 NPC1 (0.46)
SCHEMBL6686243 0.77 NPC1 (0.46)
SCHEMBL11881811 0.72 ALDH1A1 (0.46)
SCHEMBL11881818 0.72 ALDH1A1 (0.46)
SCHEMBL9456485 0.68

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-1996040170-A2 METAL-CONTAINING COMPOUNDS AND THEIR USE FOR INHIBITING THE IMMUNE RESPONSE PROCEPT, INC. (US) 1996-12-19 WO claimed
WO-1996040170-A2 METAL-CONTAINING COMPOUNDS AND THEIR USE FOR INHIBITING THE IMMUNE RESPONSE PROCEPT, INC. (US) 1996-12-19 WO disclosed