SCHEMBL8546386

SCHEMBL8546386

O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2c(c1)CCC2

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.73
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.43
EPHX2 P34913 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
SCHEMBL8547914 0.98 F2 (0.73) F2ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8544836 0.84 F2 (1.00) F2SMN1; SMN2
Hydrochloric Acid SCHEMBL8542002 0.83 F2 (0.98) F2
SCHEMBL8543078 0.83 F2 (1.00) F2
SCHEMBL8544231 0.83 F2 (1.00) F2ALDH1A1
SCHEMBL8548899 0.82 F2 (0.82) F2EPHX2
Hydrochloric Acid SCHEMBL8543551 0.82 F2 (0.98) F2ALDH1A1
SCHEMBL7337386 0.81 F2 (1.00) F2LMNA
SCHEMBL7331309 0.80 F2 (0.77) F2EPHX2
SCHEMBL8546481 0.76 F2 (0.65) F2

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