SCHEMBL25826087

SCHEMBL25826087

CCCCC(C)(C)n1cc(C(=O)NC)c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ ASAH1 Q13510 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SQOR Q9Y6N5 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPK3 P27361 1/20 0.35

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
SCHEMBL25824824 0.82 CYP2C19 (0.35) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL25823897 0.82 KMT2A (0.36) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL25824691 0.72 SMN1; SMN2 (0.49) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL22666437 0.71 TK1 (0.49) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL23240428 0.70 BRD4 (0.49) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL25824415 0.69 DAO (0.37) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL23240661 0.68 KMT2A (0.37) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL24420283 0.68 KMT2A (0.37) CYP2C19CYP1A2CYP2C9KMT2AGAA
SCHEMBL22020875 0.67 MAPK1 (0.41) ALDH1A1LMNA
SCHEMBL25823728 0.67 KDM4E (0.56) CYP2C19CYP2C9KMT2AGAAMEN1

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
US-20230220384-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-07-13 — — US disclosed
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