SCHEMBL24010072

SCHEMBL24010072

CCCN1CCS(=N)(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.35
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD3 P35462 2/20 0.31
ADRA2B P18089 1/20 0.31
HRH1 P35367 1/20 0.31
POLB P06746 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL24010082 0.92 DRD2 (0.34) DRD2SIGMAR1SMN1; SMN2DRD3DRD1
SCHEMBL24008888 0.83 SMN1; SMN2 (0.34) SMN1; SMN2DRD3ADRA2BHRH1
SCHEMBL178300 0.80 KMT2A (0.44) DRD2SIGMAR1SMN1; SMN2DRD3ADRA2B
SCHEMBL24837312 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL12854185 0.76
SCHEMBL24837313 0.73 KDM4E (0.32)
SCHEMBL25826575 0.73 PIK3CD (0.44) SMN1; SMN2
SCHEMBL24010081 0.73 NPSR1 (0.31)
SCHEMBL1046369 0.73 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1
SCHEMBL19546253 0.73 DRD2 (0.52) DRD2SIGMAR1DRD3GNAI3GNAO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed