SCHEMBL23448620

SCHEMBL23448620

CCCCC(NC=O)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ HPN P05981 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SPHK1 Q9NYA1 9/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ PDF Q9HBH1 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 1/20 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
SCHEMBL23448721 0.87 HSD17B10 (0.58) CA1CA2CA7CA14PLAU
SCHEMBL23976663 0.77 MEN1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1MAPK1
SCHEMBL23449161 0.77 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13350786 0.76 SLC15A1 (0.43) CA1CA2SMN1; SMN2
SCHEMBL23449223 0.75 S1PR1 (0.43) CA1CA2PLAUHPNALDH1A1
SCHEMBL20864042 0.75 LTA4H (0.40) CA1CA2PLAUSPHK1PDF
SCHEMBL10064039 0.74 EHMT2 (0.44) CA1CA2ALDH1A1MAPTSMN1; SMN2
SCHEMBL20174120 0.74 LTA4H (0.50) CA1CA2PDF
SCHEMBL23448822 0.73 KDM1A (0.43) PLAUHPNALDH1A1MAPTSMN1; SMN2
SCHEMBL23448718 0.72 L3MBTL1 (0.41) CA1CA2ALDH1A1MAPTSMN1; SMN2

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-2021106988-A1 G9a INHIBITOR 杏林製薬株式会社 2021-06-03 — — WO disclosed
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