SCHEMBL17100765

SCHEMBL17100765

O=S(=O)(c1ccc(OC(F)F)cc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 2/20 0.52
NPC1 O15118 1/20 0.49
PKLR P30613 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
HTT P42858 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
TDO2 P48775 1/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1096258 0.85 DHCR7 (0.59) MAPTALDH1A1PKMNPC1PKLR
SCHEMBL6886969 0.84 USP2 (0.65) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL22032773 0.83 KMT2A (0.59) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL17102117 0.82 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL17101991 0.82 MMP3 (0.49) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL6880993 0.81 SMN1; SMN2 (0.46) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL8218729 0.81 LMNA (0.53) MAPTALDH1A1LMNASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL2226030 0.80 ALDH1A1 (0.45) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL1352340 0.80 PKM (0.77) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL25245611 0.79 ALDH1A1 (0.46) MAPTALDH1A1LMNASMN1; SMN2PKM

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
EP-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP claimed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO claimed