SCHEMBL17665491

SCHEMBL17665491

CCCCOC(=O)Cn1cnc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CPB1 P15086 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ PLA2G4A P47712 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ NOD2 Q9HC29 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ NAAA Q02083 1/20 0.34

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
SCHEMBL3711165 0.86 RAB9A (0.49) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL1711629 0.80 PSEN1 (0.39) SMN1; SMN2RAB9AL3MBTL1ALOX15ALDH1A1
SCHEMBL17665662 0.75 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2CNR1
SCHEMBL27295005 0.69 MEN1 (0.54) MEN1KMT2ASMN1; SMN2CNR1GAA
SCHEMBL3711683 0.66 RAB9A (0.54) KMT2ALMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL31252010 0.66 NOS1 (0.36) —
SCHEMBL20491004 0.66 CYP3A4 (0.45) SMN1; SMN2RAB9AGAAL3MBTL1TSHR
SCHEMBL1025097 0.64 RAB9A (0.52) SMN1; SMN2RAB9AALDH1A1
SCHEMBL17665660 0.64 MEN1 (0.43) MEN1KMT2ALMNASMN1; SMN2CNR1
SCHEMBL17665731 0.64 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2CNR1

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-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 — — WO disclosed
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