SCHEMBL21653246

SCHEMBL21653246

CCn1cc(NC(=O)c2cc(Cl)n(C)c2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CA9 Q16790 3/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38

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 0.84 CREBBP (0.55) MAPTCREBBPALDH1A1KDM4ECYP3A4
SCHEMBL21653177 0.83 MAPT (0.46) MAPTALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653182 0.82 KMT2A (0.52) MAPTKDM4ERAB9ANPC1CA9
SCHEMBL21652920 0.81 MAPT (0.42) MAPTCREBBPCYP3A4CYP2C9CYP2C19
SCHEMBL21653176 0.81 MEN1 (0.58) MAPTKDM4ERAB9ANPC1POLB
SCHEMBL21653070 0.80 MEN1 (0.44) MAPTALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653190 0.80 ALDH1A1 (0.54) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL21653069 0.80 ALDH1A1 (0.43) MAPTALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653079 0.79 MEN1 (0.44) MAPTALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653117 0.79 ALDH1A1 (0.41) MAPTCREBBPALDH1A1KDM4ECYP3A4

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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