SCHEMBL19917700

SCHEMBL19917700

CC(C)N(CC(=O)NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1)Sc1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.40
▸ SYK P43405 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ PTGER1 P34995 2/20 0.33
▸ RORC P51449 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL19917707 0.90 TRPA1 (0.40) TRPA1SYKPTGESPTGER1MEN1
SCHEMBL19917662 0.88 TRPA1 (0.43) TRPA1SYKGAARORCMEN1
SCHEMBL16894123 0.84 TRPA1 (0.49) TRPA1PTGESPTGER1RORCMEN1
SCHEMBL19917699 0.83 TRPA1 (0.38) TRPA1SYKGAAPTGESRORC
SCHEMBL19917730 0.79 TRPA1 (0.44) TRPA1SYKLMNAMAPT
SCHEMBL19917743 0.78 TRPA1 (0.45) TRPA1PTGESMEN1KMT2A
SCHEMBL19917773 0.75 TRPA1 (0.45) TRPA1PTGESMEN1POLBKMT2A
SCHEMBL16894082 0.75 TRPA1 (0.51) TRPA1PTGESRORCMEN1KMT2A
SCHEMBL16894173 0.74 TRPA1 (0.61) TRPA1
SCHEMBL19917696 0.74 TRPA1 (0.48) TRPA1LMNA

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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