SCHEMBL21653116

SCHEMBL21653116

CCn1cc(NC(=O)c2cnn(C)c2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 3/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ DHX9 Q08211 1/20 0.49
▸ KDM1A O60341 2/20 0.48
▸ RCOR1 Q9UKL0 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL21652915 0.80 CREBBP (0.55) LMNAALDH1A1MAPTCYP2C19NPC1
SCHEMBL21653182 0.77 KMT2A (0.52) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21653121 0.77 RAB9A (0.53) LMNAALDH1A1ROCK1SMN1; SMN2HPGD
SCHEMBL21652920 0.77 MAPT (0.42) MAPTCYP2C19NPC1RAB9ARPS6KA2
SCHEMBL21653177 0.76 MAPT (0.46) ALDH1A1MAPTCYP2C19NPSR1SMN1; SMN2
SCHEMBL21653246 0.76 MAPT (0.43) ALDH1A1MAPTCYP2C19SMN1; SMN2NPC1
SCHEMBL30216595 0.75 SMN1; SMN2 (0.64) LMNAALDH1A1MAPTROCK1DHX9
SCHEMBL374330 0.75 DHX9 (0.65) LMNAALDH1A1MAPTROCK1DHX9
SCHEMBL21653108 0.74 CA9 (0.43) LMNAALDH1A1MAPTCYP2C19NPC1
SCHEMBL21653176 0.74 MEN1 (0.58) LMNAMAPTNPSR1SMN1; SMN2MAOA

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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