SCHEMBL28958551

SCHEMBL28958551

O=S(=O)(c1ccc(OC(F)F)cc1)N1CC2=C(CN(C3COC3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
USP9X Q93008 3/20 0.40
DHCR7 Q9UBM7 1/20 0.40
KDM2B Q8NHM5 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL21005033 0.91 LMNA (0.46) LMNASMN1; SMN2ALDH1A1USP9XDHCR7
SCHEMBL21004644 0.79 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1USP9XDHCR7
SCHEMBL25771124 0.78 LMNA (0.46) LMNASMN1; SMN2ALDH1A1USP9XDHCR7
SCHEMBL21151389 0.77 LMNA (0.45) LMNASMN1; SMN2ALDH1A1USP9XDHCR7
SCHEMBL21005032 0.77 LMNA (0.44) LMNASMN1; SMN2ALDH1A1USP9XKDM2B
SCHEMBL21004687 0.77 LMNA (0.46) LMNASMN1; SMN2ALDH1A1USP9XDHCR7
SCHEMBL20970262 0.76 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1USP9XPSEN1
SCHEMBL20970260 0.76 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1USP9XPSEN1
SCHEMBL20970271 0.76 ALDH1A1 (0.45) LMNASMN1; SMN2ALDH1A1USP9XPSEN1
Hydrochloric Acid SCHEMBL20511341 0.76 LMNA (0.46) LMNASMN1; SMN2ALDH1A1USP9XDHCR7

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
CN-115304605-B Oxetane derivatives with antitumor activity, and preparation method and application thereof 陕西国际商贸学院 2023-10-03 CN disclosed
CN-115304605-A Oxetane derivative with anti-tumor activity and preparation method and application thereof 陕西国际商贸学院 2022-11-08 CN disclosed