SCHEMBL8555311

SCHEMBL8555311

NCC(N)(C(=O)O)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.43
MMP7 P09237 1/20 0.40
KAT6A Q92794 1/20 0.39
HSD11B1 P28845 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38
PTGES O14684 1/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
PKLR P30613 1/20 0.36
HTR6 P50406 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL382490 0.87 RBP4 (0.40) ALDH1A1RAB9AHSD11B1GAATDP1
SCHEMBL8559898 0.79 SLC1A3 (0.40) KMT2AALDH1A1HSD11B1SMN1; SMN2HIF1A
SCHEMBL7374391 0.79 HTT (0.42) KMT2AMEN1ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL7651608 0.76 SMN1; SMN2 (0.44) KMT2AHSD11B1SMN1; SMN2HIF1AHTR6
SCHEMBL382142 0.76 SMN1; SMN2 (0.44) KMT2AHSD11B1SMN1; SMN2HIF1AHTR6
Hydrochloric Acid SCHEMBL382912 0.74 SMN1; SMN2 (0.43) KMT2AHSD11B1SMN1; SMN2HIF1AHTR6
Trifluoroacetic Acid SCHEMBL15918323 0.73 KMT2A (0.49) KMT2AMEN1ALDH1A1RAB9AKAT6A
SCHEMBL8619624 0.73 KIF11 (0.44) KMT2AMEN1ALDH1A1MMP7HSD11B1
SCHEMBL2332617 0.72 NSD2 (0.42) SMN1; SMN2HIF1A
SCHEMBL8557198 0.71 CA1 (0.49) KMT2AMEN1RAB9AMMP7KAT6A

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
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed