Sugi Predict

Sugi Predict / Compounds / SCHEMBL11511503

SCHEMBL11511503

SCHEMBL11511503

C#CCCCN=C(NC#N)NCCS

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.35
▸ HRH2 P25021 6/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HRH1 P35367 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ QPCT Q16769 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
SCHEMBL11509745 0.91 BCHE (0.35) HRH4HRH2BCHEACHEHRH1
SCHEMBL11511499 0.88 HRH4 (0.35) HRH4HRH2BCHEACHEHRH1
SCHEMBL11511501 0.88 HRH4 (0.35) HRH4HRH2BCHEACHEHRH1
SCHEMBL11509742 0.84 BCHE (0.35) HRH4HRH2BCHEACHE
SCHEMBL11509738 0.84 BCHE (0.35) HRH4HRH2BCHEACHE
SCHEMBL11527427 0.81 HRH4 (0.40) HRH4HRH2BCHEACHEHRH1
SCHEMBL11359779 0.81 BCHE (0.32) BCHEACHEQPCT
SCHEMBL11359774 0.74 HRH4 (0.34) HRH4BCHEACHE
SCHEMBL11359777 0.74 HRH4 (0.34) HRH4BCHEACHE
SCHEMBL11527455 0.74 BCHE (0.35) HRH4BCHEACHEHRH3QPCT

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-4158013-A N-Cyano-N'-alkynyl-N\"-2-mercaptoethylguanidines BRISTOL-MYERS COMPANY (US) 1979-06-12 — — US claimed
US-4158013-A N-Cyano-N'-alkynyl-N\"-2-mercaptoethylguanidines BRISTOL-MYERS COMPANY (US) 1979-06-12 — — US disclosed