SCHEMBL10409579

SCHEMBL10409579

O=S(=O)(CCNCCN1CCCCCC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
DPP7 Q9UHL4 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM1A O60341 1/20 0.48
HTR7 P34969 1/20 0.46
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10409520 1.00 SIGMAR1 (0.55) SIGMAR1DPP7MEN1KMT2APOLB
SCHEMBL10409586 0.98 SIGMAR1 (0.56) SIGMAR1DPP7MEN1KMT2APOLB
Maleic Acid SCHEMBL10409441 0.91 POLB (0.48) SIGMAR1DPP7MEN1KMT2APOLB
Maleic Acid SCHEMBL10409408 0.91 POLB (0.48) SIGMAR1DPP7MEN1KMT2APOLB
Fumaric Acid SCHEMBL10409444 0.91 POLB (0.48) SIGMAR1DPP7MEN1KMT2APOLB
Fumaric Acid SCHEMBL10409412 0.91 POLB (0.48) SIGMAR1DPP7MEN1KMT2APOLB
Maleic Acid SCHEMBL10409470 0.90 SIGMAR1 (0.48) SIGMAR1DPP7MEN1KMT2APOLB
Fumaric Acid SCHEMBL10409472 0.90 SIGMAR1 (0.48) SIGMAR1DPP7MEN1KMT2APOLB
SCHEMBL10410608 0.86 MEN1 (0.74) SIGMAR1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL13604236 0.84 KMT2A (0.71) SIGMAR1MEN1KMT2APOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP disclosed