SCHEMBL9299707

SCHEMBL9299707

COCCN(CCP(C)(C)=S)CC(C)(C)SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PRMT1 Q99873 1/20 0.40
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9299038 0.77 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL9299172 0.72 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL9299035 0.70 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL9298906 0.68 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6PRMT1MEN1
SCHEMBL12879664 0.64 CYP2D6 (0.68) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL8281042 0.63 MEN1 (0.51) CYP1A2CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL8281044 0.63 MEN1 (0.51) CYP1A2CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL12198807 0.62 TSHR (0.56) CYP1A2CYP2D6MEN1KMT2A
SCHEMBL18272090 0.60 CYP2D6 (0.61) CYP1A2CYP3A4CYP2D6PRMT1
SCHEMBL7798992 0.60 TAAR1 (0.44) CYP1A2CYP3A4CYP2D6PRMT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312904-A Body imaging agents AMERSHAM INTERNATIONAL PLC (GB) 1994-05-17 US disclosed
EP-0386873-B1 CATIONIC COMPLEXES OF TECHNETIUM 99M, AND LIGANDS THEREFOR AMERSHAM INTERNATIONAL plc (GB) 1993-09-15 EP disclosed
EP-0386873-A1 Cationic complexes of technetium 99m, and ligands therefor AMERSHAM INTERNATIONAL plc (GB) 1990-09-12 EP disclosed