SCHEMBL6176583

SCHEMBL6176583

Cc1cccc(C)c1-c1nc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FKBP1A P62942 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPBWR1 P48145 6/20 0.41
▸ KIT P10721 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL5214652 0.82 KIT (0.52) CBFBNPBWR1KIT
SCHEMBL6191101 0.77 CBFB (0.47) CBFBTP53ALOX15NPC1RAB9A
SCHEMBL6176580 0.74 NPBWR1 (0.41) CBFBNPC1RAB9ASMN1; SMN2NPBWR1
SCHEMBL5221543 0.74 CBFB (0.41) CBFBTP53ALOX15NPC1RAB9A
SCHEMBL5214660 0.73 KIT (0.53) CBFBNPBWR1KITDGAT1KCNH2
SCHEMBL22599784 0.72 HDAC6 (0.49) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL14422259 0.71 MEN1 (0.50) CBFBTP53ALOX15NPC1RAB9A
SCHEMBL14422260 0.71 KIT (0.45) CBFBNPBWR1KITKDM4EMEN1
SCHEMBL179138 0.70 CBFB (0.80) CBFBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL4469809 0.69 KDM4E (0.64) NPC1RAB9ASMN1; SMN2NPBWR1KDM4E

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-1603905-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-12-14 — — EP disclosed
WO-2004072068-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-08-26 — — WO disclosed
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