SCHEMBL21653071

SCHEMBL21653071

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.49
▸ MEN1 O00255 10/20 0.49
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ NFKB2 Q00653 3/20 0.49
▸ RELA Q04206 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CASP3 P42574 4/20 0.47
▸ SENP7 Q9BQF6 4/20 0.47
▸ SENP8 Q96LD8 3/20 0.47
▸ SENP6 Q9GZR1 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL21653230 0.85 ALDH1A1 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653238 0.85 SMN1; SMN2 (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21652970 0.85 NPC1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653102 0.83 MAPT (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653123 0.81 HIF1A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653273 0.81 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653109 0.80 NPC1 (0.37) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653250 0.78 ALDH1A1 (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653229 0.78 RAB9A (0.42) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21653203 0.74 SMN1; SMN2 (0.46) KMT2AMEN1RAB9ASMN1; SMN2MAPT

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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