SCHEMBL19977463

SCHEMBL19977463

CCOCCC(=O)NCCNc1ccc(CNI)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ PCNA P12004 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.36

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
SCHEMBL18551231 0.89 RAB9A (0.45) RAB9APKMSMN1; SMN2HTTPCNA
SCHEMBL20324114 0.76 CA1 (0.38) HTTHPGDALDH1A1GRIN1KCNH2
SCHEMBL20894175 0.70 HTT (0.57) HTTL3MBTL1HPGDALDH1A1TSHR
SCHEMBL15298987 0.69 KDM4E (0.53) RAB9APKMPCNAHPGDALDH1A1
SCHEMBL29452178 0.69 KDM4E (0.53) RAB9APKMPCNAHPGDALDH1A1
SCHEMBL15298133 0.69 KDM4E (0.53) RAB9APKMPCNAHPGDALDH1A1
SCHEMBL13881001 0.68 PKM (0.50) RAB9APKMHTTPCNANAMPT
SCHEMBL13892140 0.68 PKM (0.50) PKMHTTPCNANAMPTHPGD
SCHEMBL20323922 0.68 ALDH1A1 (0.51) SMN1; SMN2HTTALDH1A1KDM4ETSHR
SCHEMBL12412458 0.68 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2PCNAL3MBTL1NAMPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 — — WO disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 — — WO disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 — — WO disclosed
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 — — WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
WO-2018118598-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF FETAL LIVER KINASE POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 — — WO disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 — — WO disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 — — WO disclosed
WO-2018053354-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-03-22 — — WO disclosed
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