SCHEMBL21653231

SCHEMBL21653231

CCn1cc(NC(=O)c2cc(Br)cn2C)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALPI P09923 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL21653106 0.85 MAP2K2 (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL21653070 0.85 MEN1 (0.44) MEN1KMT2ARXFP1SMN1; SMN2RAB9A
SCHEMBL21653061 0.81 KDM4E (0.37) MEN1KMT2AATMRXFP1HTT
SCHEMBL21653096 0.80 GRM1 (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL21653273 0.78 ALDH1A1 (0.46) MEN1KMT2AL3MBTL3HTTSMN1; SMN2
SCHEMBL21653069 0.77 ALDH1A1 (0.43) MEN1KMT2ARXFP1SMN1; SMN2RAB9A
SCHEMBL21653068 0.77 TAS2R8 (0.47) MEN1KMT2ARXFP1RAB9ANPC1
SCHEMBL21652915 0.76 CREBBP (0.55) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL21653110 0.76 ALDH1A1 (0.37) MEN1KMT2ARXFP1SMN1; SMN2RAB9A
SCHEMBL21653203 0.73 SMN1; SMN2 (0.46) MEN1KMT2AHTTL3MBTL1SMN1; 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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