SCHEMBL1162273

SCHEMBL1162273

CCc1ccc(OS(=O)(=O)O)cc1.N=C=NCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL377361 0.87 RORC (0.40) FKBP1AALDH1A1KDM4EMAPTRAB9A
SCHEMBL1807959 0.83 CYP1A2 (0.58) FKBP1AALDH1A1KDM4EMAPTRAB9A
SCHEMBL15153786 0.77 CYP1A2 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL9846522 0.75 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
Fluoride SCHEMBL29218997 0.74 SMN1; SMN2 (0.60) ALDH1A1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL236312 0.71 SMN1; SMN2 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL2658154 0.71 CYP1A2 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL377360 0.71 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTRAB9AHTT
SCHEMBL30761550 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
Ammonia Solution, Strong SCHEMBL9821317 0.70 SMN1; SMN2 (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2GAA

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
WO-2011015197-A1 DEVICE AND METHOD FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS OTTO VEIT (DE) 2011-02-10 WO disclosed