SCHEMBL21696598

SCHEMBL21696598

O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ F2 P00734 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ FNTA P49354 1/20 0.50
▸ FNTB P49356 1/20 0.50
▸ TSHR P16473 1/20 0.48

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
SCHEMBL15125995 0.83 VHL (0.54) SMN1; SMN2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21696581 0.82 POLB (0.56) POLBF2CYP3A4CYP2C9PKM
SCHEMBL22291794 0.82 POLB (0.52) POLBSMN1; SMN2F2CYP3A4CYP2C9
SCHEMBL21696530 0.82 CYP3A4 (0.59) POLBF2CYP3A4CYP2C9PKM
SCHEMBL16277177 0.81 POLB (0.51) POLBF2CYP3A4CYP2C9PKM
SCHEMBL16277225 0.81 POLB (0.51) POLBF2CYP3A4CYP2C9PKM
SCHEMBL16277175 0.79 POLB (0.51) POLBF2CYP3A4CYP2C9PKM
SCHEMBL13272490 0.78 FKBP1A (0.48) POLBALDH1A1FNTAFNTB
SCHEMBL30874798 0.78 VNN1 (0.62) POLBCYP3A4CYP2C9ALDH1A1FNTA
SCHEMBL21696811 0.78 POLB (0.56) POLBF2CYP3A4CYP2C9PKM

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 — — EP disclosed
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