SCHEMBL27345604

SCHEMBL27345604

O=S(=O)(c1ccc(OC(F)F)cc1)N1CC2CCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.43
DHCR7 Q9UBM7 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL25245611 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL27345361 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL30719517 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL25317014 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL6886969 0.80 USP2 (0.65) ALDH1A1SMN1; SMN2LMNAGAAMEN1
SCHEMBL27345345 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL30719479 0.78 DHCR7 (0.65) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL27344746 0.78 DHCR7 (0.65) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL27344646 0.78 DHCR7 (0.65) ALDH1A1SMN1; SMN2LMNAGAADHCR7
SCHEMBL6880993 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAGAADHCR7

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 WO disclosed