SCHEMBL8600570

SCHEMBL8600570

C=CC[S+]([O-])c1ccncn1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL28234324 0.76 MEN1 (0.34)
SCHEMBL7349583 0.73 P2RX7 (0.33) HSP90AA1
SCHEMBL7287541 0.73 P2RX7 (0.33) HSP90AA1
SCHEMBL7358775 0.70 P2RX7 (0.32) HSP90AA1
SCHEMBL7358778 0.70 P2RX7 (0.32) HSP90AA1
SCHEMBL7299288 0.69 P2RX7 (0.31) HSP90AA1
SCHEMBL7299291 0.69 P2RX7 (0.31) HSP90AA1
SCHEMBL11278952 0.69
SCHEMBL27405766 0.69
SCHEMBL45811 0.67

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
JP-10109979-A None JP disclosed
JP-H10109979-A PRODUCTION OF 4-ALKYLAMINOPYRIMIDINE DERIVATIVE UBE IND LTD 1998-04-28 JP disclosed