SCHEMBL3467609

SCHEMBL3467609

O=S(=O)(Nc1nnc(COc2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.43
FFAR1 O14842 1/20 0.43
CCR2 P41597 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
P2RY1 P47900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.41
SCN9A Q15858 3/20 0.41
CCR1 P32246 1/20 0.41
CCR4 P51679 1/20 0.41
HPGD P15428 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
SCHEMBL3467235 0.83 ALDH1A1 (0.49) LMNAHSD17B10ALDH1A1CCR2MEN1
SCHEMBL3467524 0.83 P2RY1 (0.44) PKMHSD17B10ALDH1A1CCR2MEN1
SCHEMBL3466833 0.82 ALDH1A1 (0.54) LMNAPKMHSD17B10ALDH1A1MEN1
SCHEMBL3467620 0.79 MEN1 (0.40) CCR2MEN1KMT2AP2RY1KDM1A
SCHEMBL3478056 0.78 ALDH1A1 (0.52) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3467036 0.77 MEN1 (0.53) PKMHSD17B10ALDH1A1FFAR1CCR2
SCHEMBL3468245 0.76 ALDH1A1 (0.52) LMNAPKMHSD17B10ALDH1A1MEN1
SCHEMBL3467495 0.74 ALDH1A1 (0.49) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5389518 0.73 MEN1 (0.74) LMNAPKMHSD17B10ALDH1A1CCR2
SCHEMBL3467458 0.73 ALDH1A1 (0.61) LMNAHSD17B10ALDH1A1MEN1KMT2A

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