SCHEMBL21653230

SCHEMBL21653230

CCn1cc(NC(=O)c2ccc(Cl)s2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HPGD P15428 5/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ F10 P00742 4/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL21653034 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653071 0.85 KMT2A (0.49) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653238 0.85 SMN1; SMN2 (0.38) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21652970 0.85 NPC1 (0.41) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653229 0.82 RAB9A (0.42) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653250 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653240 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21652912 0.81 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653124 0.81 PPARG (0.40) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL21653123 0.81 HIF1A (0.41) ALDH1A1KDM4EMEN1KMT2ANPC1

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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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