SCHEMBL21653129

SCHEMBL21653129

CCc1sc(C(=O)Nc2ccc(=O)n(CC)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NCOA2 Q15596 2/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL21653250 0.88 ALDH1A1 (0.43) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21653240 0.87 ALDH1A1 (0.45) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL21653124 0.85 PPARG (0.40) KDM4EALDH1A1HPGDL3MBTL1CASP3
SCHEMBL21653140 0.84 ALDH1A1 (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21653122 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21652912 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL21653230 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21653243 0.80 SMN1; SMN2 (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL21653229 0.79 RAB9A (0.42) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL21653272 0.79 SMN1; SMN2 (0.42) KDM4EALDH1A1HPGDRAB9ASMN1; 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-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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