SCHEMBL9568248

SCHEMBL9568248

Cc1ccccc1C(F)(F)F.O=S(=O)(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCRTR1 O43613 1/20 0.40
HSD11B1 P28845 3/20 0.40
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.37
HTT P42858 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL169124 0.83 TSHR (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL29656610 0.83 TSHR (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27874688 0.81 TDP1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL28214529 0.81 HSD11B1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL1870627 0.81 HSD11B1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Fluoride SCHEMBL27976646 0.81 HSD11B1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
O-Xylene SCHEMBL11776221 0.79 TSHR (0.56) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL27958458 0.77 MEN1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8409006 0.76 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2127253 0.76 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564788-A2 Sulfonylbenzyl substituted imidazopyridines as AII-antagonists BAYER AG (DE) 1993-10-13 EP disclosed
EP-0562261-A2 Sulphonylbenzyl substituted imidazoles BAYER AG (DE) 1993-09-29 EP disclosed
EP-0557843-A2 Sulfonylbenzyl-substituted pyridones as pharmaceuticals BAYER AG (DE) 1993-09-01 EP disclosed
EP-0557842-A2 Sulphonylbenzyl substituted imidazolylpropenic acid derivatives BAYER AG (DE) 1993-09-01 EP disclosed