SCHEMBL6848893

SCHEMBL6848893

C=CCn1c(SCC(=O)Nc2nsc(-c3ccccc3)n2)nc2scc(-c3ccccc3)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.62
▸ TGM2 P21980 6/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.53
▸ POLB P06746 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAPDH P04406 1/20 0.53
▸ PTPN7 P35236 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53

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
SCHEMBL19079794 0.82 NPSR1 (0.68) KMT2AMEN1NPSR1TGM2KDM4E
SCHEMBL5807546 0.76 NPSR1 (0.70) KMT2AMEN1NPSR1TGM2KDM4E
SCHEMBL6034409 0.74 TGM2 (1.00) NPSR1TGM2ALDH1A1HTTLMNA
SCHEMBL5803743 0.73 KMT2A (0.58) KMT2AMEN1NPSR1TGM2KDM4E
SCHEMBL5803748 0.73 KMT2A (0.58) KMT2AMEN1NPSR1TGM2KDM4E
SCHEMBL6037616 0.70 TGM2 (1.00) TGM2
SCHEMBL6034354 0.69 TGM2 (1.00) TGM2ALDH1A1HTTMAPT
SCHEMBL6037657 0.67 TGM2 (1.00) TGM2
SCHEMBL6034215 0.67 TP53 (0.72) KMT2AMEN1NPSR1TGM2KDM4E
SCHEMBL6033974 0.67 TGM2 (0.78) TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 — — WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 — — EP disclosed
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