SCHEMBL4301800

SCHEMBL4301800

Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SLC6A9 P48067 3/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ CRHR1 P34998 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL4295046 0.93 SLC6A9 (0.41) MAPTTRPV1HCRTR1HCRTR2SLC6A9
SCHEMBL4006854 0.90 ALDH1A1 (0.37) MAPTHCRTR1HCRTR2ALDH1A1LMNA
SCHEMBL4009200 0.87 ABCB1 (0.40) DDR1ALDH1A1LMNANPY2RMEN1
SCHEMBL4309250 0.85 TAS1R3 (0.37) DDR1MAPTALDH1A1LMNASLC6A9
SCHEMBL4003450 0.83 HCRTR1 (0.36) MAPTHCRTR1HCRTR2CYP3A4CYP2C9
SCHEMBL4005617 0.83 ITGB1 (0.36) MAPTPOLBTP53
SCHEMBL4005126 0.82 HSD11B1 (0.34) MAPTALDH1A1CYP3A4
SCHEMBL4010758 0.81 ALDH1A1 (0.37) MAPTALDH1A1MEN1POLBCYP2C9
SCHEMBL4009205 0.81 ITGB1 (0.38) MAPT
SCHEMBL4006080 0.81 CYP3A4 (0.39) MAPTALDH1A1MEN1CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 — — EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 — — EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 — — WO disclosed
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