SCHEMBL9780415

SCHEMBL9780415

O=S(=O)(F)CCN(OC(F)(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37
PRSS3 P35030 1/20 0.37
MGLL Q99685 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
NR3C1 P04150 1/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL9780348 0.85 LTA4H (0.38) MEN1KMT2AALDH1A1L3MBTL1NR3C1
SCHEMBL9780409 0.79 KMT2A (0.34) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8144722 0.76 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1L3MBTL1CYP3A4
SCHEMBL14058643 0.74 TSHR (0.38) MEN1KMT2AALDH1A1CYP3A4RORC
SCHEMBL23929831 0.73 LTA4H (0.37) MEN1KMT2AL3MBTL1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL28613980 0.73 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CYP3A4RORC
SCHEMBL9780419 0.70 KMT2A (0.34) MEN1KMT2AALDH1A1CA2CA9
SCHEMBL4138448 0.70 POLQ (0.36) MEN1KMT2AALDH1A1
SCHEMBL11319545 0.70 TSHR (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL20364917 0.70 MAPT (0.44) FAAHPRSS1PRSS2ELANEPRTN3

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
US-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed