SCHEMBL31287948

SCHEMBL31287948

CS(=O)(=O)c1nc(Oc2cccc(C(F)(F)F)c2)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 2/20 0.52
SDHB P21912 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
NTRK1 P04629 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8670000 0.95 LMNA (0.55) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8669893 0.92 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8665887 0.92 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8665226 0.92 SDHB (0.58) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8665287 0.92 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8666413 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8666828 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8720496 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8668641 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL8669831 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPSR1LMNA

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-3164406-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-12-25 EP disclosed