SCHEMBL19917734

SCHEMBL19917734

CCN(CC(=O)NCc1cc(OC)cc(-c2ccc(C(F)(F)F)cc2)c1)Sc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ TRPA1 O75762 2/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL19917655 0.90 LMNA (0.40) RXRARXRBRXRGTRPA1TACR1
SCHEMBL19917754 0.89 MAPT (0.42) MAPTRXFP1RXRARXRBRXRG
SCHEMBL19917716 0.87 TRPA1 (0.41) MAPTRXFP1RXRARXRBRXRG
SCHEMBL19917729 0.87 LMNA (0.48) GAALMNARAB9AMEN1KMT2A
SCHEMBL16894225 0.82 TRPA1 (0.53) TP53TRPA1GAAALDH1A1KMT2A
SCHEMBL19917689 0.81 LMNA (0.41) TRPA1LMNAALDH1A1RAB9ACASR
SCHEMBL19917735 0.81 TRPA1 (0.40) MAPTRXFP1RXRARXRBRXRG
SCHEMBL19917776 0.81 TRPA1 (0.45) TRPA1LMNA
SCHEMBL19917767 0.80 BACE1 (0.54) MAPTTRPA1GAALMNAALDH1A1
SCHEMBL19917753 0.80 TRPA1 (0.41) MAPTRXFP1RXRARXRBRXRG

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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