SCHEMBL27723271

SCHEMBL27723271

O=C(NCc1ccc(F)cc1)C(COC(F)F)NC[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
ANPEP P15144 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
TLR2 O60603 2/20 0.39

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
SCHEMBL2865610 0.81 CA12 (0.47) MEN1GAAKMT2AHPGDLMNA
SCHEMBL2858060 0.80 CA1 (0.59) MEN1GAAKMT2AHPGDALDH1A1
SCHEMBL2862880 0.80 CA1 (0.59) MEN1GAAKMT2AHPGDALDH1A1
SCHEMBL2854148 0.78 HPGD (0.43) MEN1GAAKMT2AHPGDALDH1A1
SCHEMBL27744297 0.77 POLB (0.42) KMT2AANPEPNPC1POLBRAB9A
SCHEMBL2849738 0.77 HPGD (0.46) MEN1GAAKMT2AHPGDLMNA
SCHEMBL12799314 0.75 CTSS (0.58) HPGDANPEPPOLBTSHR
SCHEMBL14471184 0.75 HPGD (0.59) MEN1GAAKMT2AHPGDLMNA
SCHEMBL2863206 0.71 KMT2A (0.50) MEN1GAAKMT2ALMNAALDH1A1
SCHEMBL2855929 0.70 CA12 (0.59) MEN1KMT2AMAPTANPEPTSHR

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
CN-101282940-B Fluorine-containing compound NPS PHARMA INC 2013-02-13 CN claimed
CN-101282940-A Fluorine-containing compound NPS PHARMA INC (US) 2008-10-08 CN claimed