SCHEMBL19917767

SCHEMBL19917767

CCN(CC(=O)NCc1ccc(-c2cccc(C(F)(F)F)c2)cc1)Sc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44
▸ RORC P51449 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MME P08473 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
SCHEMBL19917729 0.90 LMNA (0.48) BACE1LMNAMEN1KMT2APOLB
SCHEMBL19917655 0.84 LMNA (0.40) BACE1ALDH1A1LMNAPOLBBACE2
SCHEMBL19917689 0.82 LMNA (0.41) ALDH1A1LMNAPOLBHPGDOPRM1
SCHEMBL19917776 0.82 TRPA1 (0.45) LMNATRPA1
SCHEMBL19917781 0.81 TRPA1 (0.41) ALDH1A1LMNAL3MBTL1OPRM1OPRL1
SCHEMBL16894086 0.80 ALDH1A1 (0.65) BACE1ALDH1A1LMNANPSR1MEN1
SCHEMBL19917734 0.80 MAPT (0.41) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL19917763 0.80 BACE1 (0.52) BACE1ALDH1A1LMNANPSR1MEN1
SCHEMBL19917705 0.79 TRPA1 (0.51) BACE1ALDH1A1LMNAL3MBTL1OPRM1
SCHEMBL19917761 0.78 LMNA (0.53) BACE1ALDH1A1LMNAMEN1KMT2A

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
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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