SCHEMBL21696811

SCHEMBL21696811

O=C(NCc1ccc(Cl)cc1)C1CCCN1C(=O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ F2 P00734 4/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 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
SCHEMBL21696931 1.00 POLB (0.56) POLBF2MEN1KMT2AMAPT
SCHEMBL15126028 0.92 POLB (0.61) POLBF2MEN1KMT2ACYP3A4
SCHEMBL21696559 0.87 PKM (0.64) POLBF2MEN1KMT2ACYP3A4
SCHEMBL15125821 0.86 F2 (0.54) POLBF2MEN1KMT2A
SCHEMBL21696546 0.85 POLB (0.52) POLBF2MEN1KMT2ACYP3A4
SCHEMBL15125851 0.83 POLB (0.51) POLBF2MEN1KMT2ACYP3A4
SCHEMBL21697330 0.83 ALDH1A1 (0.60) POLBF2MEN1KMT2ACYP3A4
SCHEMBL15125856 0.83 MEN1 (0.56) POLBF2MEN1KMT2ACYP3A4
SCHEMBL21697177 0.83 CA2 (0.68) POLBMEN1KMT2AMAPTCYP3A4
SCHEMBL21696539 0.83 POLB (0.52) POLBF2MEN1KMT2AMAPT

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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