SCHEMBL29797901

SCHEMBL29797901

O=C(Cc1ccccc1)c1c[nH]c(C(=O)c2ccccc2F)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.66
▸ GAA P10253 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPK14 Q16539 7/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK7 Q13164 1/20 0.51
▸ DNTT P04053 1/20 0.45

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
SCHEMBL10940933 0.83 MAPK14 (0.59) RAB9AGAAALDH1A1KMT2AMAPK14
SCHEMBL8284046 0.80 RAB9A (1.00) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL17607058 0.77 MAPK14 (0.67) RAB9AGAAALDH1A1KMT2AMAPK14
SCHEMBL10937230 0.76 MAPK14 (0.58) GAAALDH1A1KMT2AMAPK14LMNA
SCHEMBL1515749 0.75 PTPN1 (0.59) RAB9AALDH1A1KMT2AMEN1
SCHEMBL10939119 0.74 RAB9A (0.77) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL4798275 0.74 KMT2A (1.00) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL1149553 0.74 ALDH1A1 (1.00) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL28760412 0.73 RAB9A (0.75) RAB9AGAAALDH1A1KMT2AMEN1
SCHEMBL4804484 0.73 ALDH1A1 (0.86) RAB9AGAAALDH1A1KMT2AMEN1

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-2022159980-A1 PHARMACEUTICAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME ATHOS THERAPEUTICS, INC. (US) 2022-07-28 — — WO disclosed
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