SCHEMBL4611461

SCHEMBL4611461

O=S(=O)(CC1CCC1)N1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CXCR3 P49682 1/20 0.43
ADRA1B P35368 2/20 0.42
KMO O15229 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL4609903 0.72 SMN1; SMN2 (0.38) HSD17B10ADRA1BADRA1DADRA1ALMNA
SCHEMBL5715714 0.70 ALDH1A1 (0.61) KDM4EADRA1BHTR1AADRA1DADRA1A
SCHEMBL5670386 0.70 ADAM10 (0.43) HSD17B10CXCR3ADRA1BHTR1AADRA1D
SCHEMBL14924451 0.70 HSD17B10 (0.66) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL6441668 0.69 ALDH1A1 (0.65) KDM4EADRA1BHTR1AADRA1DADRA1A
SCHEMBL29891888 0.69 ALDH1A1 (0.65) KDM4EADRA1BHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL29749177 0.69 ALDH1A1 (0.65) KDM4EADRA1BHTR1AADRA1DADRA1A
SCHEMBL4610312 0.68 HSD17B10 (0.43) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL14924038 0.68 HSD17B10 (0.62) HSD17B10KDM4EGLAALDH1A1LMNA
SCHEMBL14566100 0.68 ACACB (0.46) ALDH1A1LMNASMN1; SMN2GRM5GAA

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
EP-1641771-B1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS UCB PHARMA SA (BE) 2008-10-15 EP disclosed