SCHEMBL21697177

SCHEMBL21697177

NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 11/20 0.68
▸ CA12 O43570 10/20 0.68
▸ CA1 P00915 10/20 0.68
▸ CA9 Q16790 10/20 0.68
▸ POLB P06746 1/20 0.52
▸ CA7 P43166 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15126028 0.90 POLB (0.61) CA2CA12CA1CA9POLB
SCHEMBL21696559 0.85 PKM (0.64) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL21696539 0.84 POLB (0.52) CA2CA12CA1CA9POLB
SCHEMBL21696931 0.83 POLB (0.56) CA2CA12CA1CA9POLB
SCHEMBL21696811 0.83 POLB (0.56) CA2CA12CA1CA9POLB
SCHEMBL15126289 0.83 CA1 (0.62) CA2CA12CA1CA9CA7
SCHEMBL21696838 0.80 POLB (0.55) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL21696603 0.80 MEN1 (0.56) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL15126354 0.80 MEN1 (0.56) POLBMEN1KMT2ACYP3A4CYP2C9
SCHEMBL15125854 0.79 POLB (0.56) POLBMEN1KMT2ACYP3A4CYP2C9

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
Send feedback