SCHEMBL27312342

SCHEMBL27312342

CCN(CC)S(=O)(=O)c1ccc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 6/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 3/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46
RORC P51449 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 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
SCHEMBL27312349 0.91 HTT (0.56) HTTSMN1; SMN2NPSR1MAPTLMNA
SCHEMBL30877035 0.81 NAMPT (0.47) KDM4EALDH1A1RORCTACR1NAMPT
SCHEMBL27312087 0.79 LMNA (0.60) HTTSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL27312340 0.78 HTT (0.50) HTTSMN1; SMN2NPSR1MAPTLMNA
SCHEMBL28035458 0.78 HTT (0.63) HTTSMN1; SMN2NPSR1MAPTLMNA
SCHEMBL27312118 0.77 LMNA (0.54) HTTSMN1; SMN2MAPTLMNAGAA
SCHEMBL27312351 0.77 ALDH1A1 (0.59) HTTSMN1; SMN2NPSR1MAPTLMNA
SCHEMBL27312347 0.76 CA2 (0.55) HTTSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL27313733 0.75 CA12 (0.53) HTTSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL30877030 0.74 POLB (0.47) HTTSMN1; SMN2NPSR1MAPTLMNA

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