SCHEMBL27312349

SCHEMBL27312349

CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.56
RORC P51449 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.50
MMP3 P08254 1/20 0.48
PTGER1 P34995 1/20 0.47
MMP1 P03956 1/20 0.47
BMP1 P13497 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
ABCC9 O60706 1/20 0.46

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
SCHEMBL27312342 0.91 HTT (0.50) HTTSMN1; SMN2LMNANPSR1GAA
SCHEMBL28035458 0.88 HTT (0.63) HTTSMN1; SMN2LMNANPSR1GAA
SCHEMBL27312087 0.82 LMNA (0.60) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL27312118 0.81 LMNA (0.54) HTTSMN1; SMN2LMNAGAAKDM4E
SCHEMBL27312347 0.79 CA2 (0.55) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL27312340 0.79 HTT (0.50) HTTSMN1; SMN2LMNANPSR1KDM4E
SCHEMBL27313733 0.78 CA12 (0.53) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27312351 0.77 ALDH1A1 (0.59) HTTSMN1; SMN2LMNANPSR1GAA
SCHEMBL5018980 0.77 LMNA (0.61) HTTSMN1; SMN2LMNANPSR1KDM4E
SCHEMBL5018988 0.76 LMNA (0.56) HTTSMN1; SMN2LMNAKDM4EALDH1A1

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-2024091450-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-02 WO disclosed