SCHEMBL19917754

SCHEMBL19917754

COc1cc(CNC(=O)CN(C)Sc2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ DGAT2 Q96PD7 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ CCR2 P41597 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
SCHEMBL19917734 0.89 MAPT (0.41) MAPTRXFP1RXRARXRBRXRG
SCHEMBL19917716 0.89 TRPA1 (0.41) MAPTRXFP1RXRARXRBRXRG
SCHEMBL19917761 0.86 LMNA (0.53) TP53LMNAHPGDMEN1KMT2A
SCHEMBL19917705 0.85 TRPA1 (0.51) TP53LMNATRPA1ALDH1A1
SCHEMBL19917753 0.83 TRPA1 (0.41) MAPTRXFP1RXRARXRBRXRG
SCHEMBL16894105 0.83 KDM4E (0.48) MAPTLMNATRPA1KMT2AALDH1A1
SCHEMBL19917766 0.80 LMNA (0.44) LMNATRPA1HPGDMEN1KMT2A
SCHEMBL19917760 0.80 TRPA1 (0.46) LMNATRPA1GAAHPGDKMT2A
SCHEMBL16894117 0.80 TRPA1 (0.53) TRPA1
SCHEMBL16894225 0.80 TRPA1 (0.53) TP53TRPA1GAAKMT2AALDH1A1

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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