SCHEMBL23288019

SCHEMBL23288019

Cc1cc(C#Cc2ccccc2)ccc1NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GRM5 P41594 4/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL27240085 0.84 KDR (0.41) RXFP1GRM5KDM4EKDRLCK
SCHEMBL27240259 0.79 GRM5 (0.38) RXFP1GRM5TP53KDM4EKMT2A
SCHEMBL4310554 0.78 VCP (0.45) RXFP1KMT2APTPN11RAB9ANPC1
SCHEMBL7043137 0.76 PTPN11 (0.59) KDM4EALDH1A1KMT2APTPN11RAB9A
SCHEMBL27240040 0.76 GRM5 (0.41) RXFP1GRM5KDM4EALDH1A1KMT2A
SCHEMBL23287985 0.75 BTK (0.40) RXFP1PTPN11KDRLCKCA12
SCHEMBL19233276 0.74 KDM4E (0.46) RXFP1KDM4EALDH1A1KMT2AMAPT
SCHEMBL1706042 0.73 PTGES (0.43) RXFP1PTPN11
SCHEMBL23287990 0.73 MEN1 (0.39) GRM5KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL27240225 0.73 SYK (0.37) RXFP1KDRLCKTEKMAPT

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-2021080013-A1 INHIBITORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2021-04-29 — — WO disclosed
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