SCHEMBL4761019

SCHEMBL4761019

O=S(=O)(NI)c1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.41
SLC22A6 Q4U2R8 2/20 0.41
SLC22A8 Q8TCC7 2/20 0.41
SLC22A11 Q9NSA0 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KAT6A Q92794 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL2452803 0.82 SCN9A (0.48) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL18240869 0.79 MEN1 (0.46) SLC22A12MEN1KMT2AALDH1A1KAT6A
SCHEMBL197671 0.74 HSD11B1 (0.56) ALDH1A1CYP3A4CYP2D6ALOX15MAPK1
SCHEMBL8022901 0.72 HSD11B1 (0.54) ALDH1A1CYP3A4CYP2D6ALOX15MAPK1
Hydrochloric Acid SCHEMBL29010139 0.72 HSD11B1 (0.54) ALDH1A1CYP3A4CYP2D6ALOX15MAPK1
SCHEMBL17698979 0.71 SLC22A12 (0.60) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL7368671 0.70 MEN1 (0.41) SLC22A12MEN1KMT2AALDH1A1RXFP1
SCHEMBL20345310 0.70 MEN1 (0.56) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL4029025 0.69 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1767681 0.69 SLC22A12 (0.58) SLC22A12MEN1KMT2AALDH1A1CYP2C9

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-1919869-A1 NOVEL INDOLE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2008-05-14 EP disclosed
WO-2007026097-A1 NOVEL INDOLE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed