SCHEMBL8544836

SCHEMBL8544836

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 1.00
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PGR P06401 1/20 0.48
ALOX12 P18054 1/20 0.46

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
SCHEMBL8543078 0.89 F2 (1.00) F2
Hydrochloric Acid SCHEMBL8542002 0.87 F2 (0.98) F2MEN1KMT2A
SCHEMBL7337386 0.87 F2 (1.00) F2MEN1KMT2A
SCHEMBL8544231 0.86 F2 (1.00) F2
Hydrochloric Acid SCHEMBL8543551 0.85 F2 (0.98) F2
SCHEMBL8548899 0.85 F2 (0.82) F2
SCHEMBL8546329 0.84 F2 (0.73) F2PGR
SCHEMBL8546386 0.84 F2 (0.73) F2SMN1; SMN2
SCHEMBL8547914 0.84 F2 (0.73) F2SMN1; SMN2
SCHEMBL7331309 0.83 F2 (0.77) F2KMT2APGR

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed