SCHEMBL9780419

SCHEMBL9780419

CCC(CN(OC(F)(F)F)c1ccccc1)S(N)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
CA5A P35218 1/20 0.32
RORC P51449 2/20 0.32
CCR5 P51681 1/20 0.31
CNR2 P34972 1/20 0.31
BLM P54132 1/20 0.30
CA12 O43570 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
SCHEMBL9780348 0.75 LTA4H (0.38) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL14058643 0.72 TSHR (0.38) KMT2ATSHRMAPK1HSD17B10MEN1
Hydrochloric Acid SCHEMBL28613980 0.71 ALDH1A1 (0.37) KMT2ATSHRMAPK1HSD17B10MEN1
SCHEMBL9780413 0.70 CA1 (0.33) KMT2ATSHRMAPK1HSD17B10MEN1
SCHEMBL9780415 0.70 FAAH (0.37) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL9780409 0.69 KMT2A (0.34) KMT2ATSHRMAPK1HSD17B10MEN1
SCHEMBL23929831 0.65 LTA4H (0.37) KMT2ATSHRHSD17B10MEN1BLM
SCHEMBL3837706 0.65 CA2 (0.46) KMT2AMEN1CA1CA2CA9
SCHEMBL8144722 0.64 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1
Benzoic Acid SCHEMBL28666110 0.62 TSHR (0.50) KMT2ATSHRHSD17B10MEN1ALDH1A1

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