SCHEMBL20749042

SCHEMBL20749042

CCCCCC#CN1CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.35
HMGCR P04035 2/20 0.35
KCNH2 Q12809 1/20 0.34
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10632696 0.71
SCHEMBL1760799 0.69 PTPN7 (0.56) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL9367475 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17377642 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL29020570 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17965756 0.69
SCHEMBL21294357 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL11484029 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL17965749 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1
SCHEMBL19359550 0.69 PTPN7 (0.46) PTPN7HMGCRKCNH2RECQLTDP1

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-3054927-B1 FORMULATIONS OF (S)-3-(4-((4-(MORPHOLINOMETHYL)BENZYLOXY)-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE CELGENE CORP (US) 2019-02-20 EP disclosed