SCHEMBL12334059

SCHEMBL12334059

CC(O)(c1ccc(NC(=O)c2ccccc2F)cc1)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ LMNA P02545 2/20 0.61
▸ NPC1 O15118 9/20 0.58
▸ RAB9A P51151 9/20 0.58
▸ MAPT P10636 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ TLR8 Q9NR97 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RORC P51449 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ABCC9 O60706 1/20 0.54
▸ ABCC8 Q09428 1/20 0.54
▸ KCNJ11 Q14654 1/20 0.54
▸ KCNJ8 Q15842 1/20 0.54

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
SCHEMBL12334266 0.86 HPGD (0.60) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL12334586 0.86 RORC (0.72) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL12334263 0.85 RORC (0.53) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL12334640 0.85 MEN1 (0.59) MEN1KMT2ATDP1SMN1; SMN2NPC1
SCHEMBL12334246 0.84 RAB9A (0.61) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL30266808 0.84 MEN1 (0.73) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL12334252 0.84 SNCA (0.56) KMT2ATDP1SMN1; SMN2LMNANPC1
SCHEMBL12334628 0.84 GPR27 (0.58) KMT2ASMN1; SMN2LMNANPC1RAB9A
SCHEMBL1687870 0.82 MEN1 (0.69) MEN1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL12334679 0.80 RAB9A (0.56) MEN1KMT2ANPC1RAB9AMAPT

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-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 — — WO disclosed
Send feedback