SCHEMBL22219694

SCHEMBL22219694

COC(=O)c1cc(NC(C)=O)c(C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LCK P06239 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IAPP P10997 1/20 0.41
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRB2 P47870 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40

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
SCHEMBL18825226 0.81 MAPK1 (0.53) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL9318646 0.76 MAPK1 (0.49) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL30111868 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL30031450 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL29878684 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL22978646 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL31161438 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL23714349 0.75 MAPK1 (0.47) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL12488360 0.75 MAPK1 (0.51) MAPK1MAPTLCKALDH1A1KDM4E
SCHEMBL30100067 0.75 MAPK1 (0.51) MAPK1MAPTLCKALDH1A1KDM4E

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
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 — — WO disclosed
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