SCHEMBL3355234

SCHEMBL3355234

COC(=O)Cn1ccc2ccc(N)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ NTSR1 P30989 1/20 0.45
▸ MTNR1A P48039 5/20 0.44
▸ MTNR1B P49286 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL14876504 0.88 NTSR1 (0.57) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL23631641 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL2875571 0.86 MTNR1A (0.48) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL2873285 0.86 MCL1 (0.43) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL3057043 0.85 MCL1 (0.41) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL13139567 0.83 NTSR1 (0.45) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL21810438 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL3354646 0.82 NTSR1 (0.51) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL3353214 0.81 LMNA (0.44) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL2869168 0.81 KMT2A (0.60) KDM4EALDH1A1HPGDPOLBSMN1; SMN2

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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