SCHEMBL5877461

SCHEMBL5877461

COC(=O)[C@@H]1COC(=S)N1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL5877457 1.00 KMT2A (0.39) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3135126 0.79 KMT2A (0.44) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3135120 0.79 KMT2A (0.44) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31590369 0.79 KMT2A (0.44) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5870467 0.79 KMT2A (0.44) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8563627 0.70 BACE1 (0.41) KMT2ABACE1
SCHEMBL8563625 0.70 BACE1 (0.41) KMT2ABACE1
SCHEMBL8563622 0.70 BACE1 (0.41) KMT2ABACE1
SCHEMBL20924918 0.69 TSHR (0.39) KMT2ACHRNB2CHRNA4BACE1
SCHEMBL16752661 0.68 FFAR3 (0.38) KMT2A

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-7115705-B2 Method of producing a polythiourethane and method of producing a graft polymer JSR CORPORATION (JP) 2006-10-03 US disclosed
US-20050250926-A1 Method of producing a polythiourethane and method of producing a graft polymer JSR CORPORATION (JP) 2005-11-10 US disclosed