SCHEMBL3467495

SCHEMBL3467495

O=S(=O)(Nc1nnc(Cc2cccc(OC(F)F)c2)s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
SCN1A P35498 1/20 0.48
SCN8A Q9UQD0 1/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GGT1 P19440 1/20 0.46
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLS O94925 2/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL3467354 0.90 ALDH1A1 (0.61) ALDH1A1MAPTSCN1ASCN8AMEN1
SCHEMBL3467235 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AGGT1
SCHEMBL3468791 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AGGT1
SCHEMBL3467885 0.78 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AGGT1
SCHEMBL3478056 0.76 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AGGT1
SCHEMBL3467186 0.75 ATM (0.52) ALDH1A1MEN1KMT2AGGT1SMN1; SMN2
SCHEMBL3467933 0.74 KCNJ5 (0.38) MAPTSCN1ASCN8AMEN1KMT2A
SCHEMBL3468816 0.74 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AGGT1
SCHEMBL3467609 0.74 LMNA (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3467524 0.73 P2RY1 (0.44) ALDH1A1MAPTMEN1KMT2APOLB

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed