SCHEMBL17665662

SCHEMBL17665662

CCCCOC(=O)Cn1cc(C(F)(F)F)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CNR1 P21554 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MITF O75030 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL17665491 0.75 MEN1 (0.42) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL22143470 0.72 ALDH1A1 (0.46) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21539717 0.67 LMNA (0.45) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL17665722 0.66 MEN1 (0.47) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL19236918 0.66 MEN1 (0.46) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL17665731 0.66 MEN1 (0.46) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL20710061 0.65 DGAT1 (0.36) ALDH1A1
SCHEMBL15492955 0.64 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1GAALMNA
SCHEMBL20710059 0.64 RPS6KB1 (0.35) TSHRALDH1A1CYP2C19
SCHEMBL17665660 0.63 MEN1 (0.43) MEN1KMT2AL3MBTL1GAALMNA

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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