SCHEMBL3857230

SCHEMBL3857230

CC(C)CCCOC(=O)c1ncn2c(=O)n(C)nnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
PABPC1 P11940 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRA4 P48169 1/20 0.33
LMNA P02545 1/20 0.31
RARB P10826 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL3855023 0.97 MEN1 (0.54) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3849690 0.96 MEN1 (0.53) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3858124 0.90 MEN1 (0.52) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3860588 0.89 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3851646 0.87 MEN1 (0.59) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3852090 0.87 MEN1 (0.51) MEN1PABPC1KMT2ACA12CA1
SCHEMBL19979295 0.86 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL21726067 0.86 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3856237 0.86 MEN1 (0.57) MEN1PABPC1KMT2ACA12CA1
SCHEMBL3853544 0.85 MEN1 (0.56) MEN1PABPC1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798234-B1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER TIANJIN TASLY GROUP CO LTD (CN) 2012-06-13 EP disclosed
US-7579336-B2 Pharmaceutical composition comprising temozolomide ester TIAN JIN TASLY GROUP CO., LTD. (CN) 2009-08-25 US disclosed
EP-1798234-A1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER Tianjin Tasly Group Co., Ltd. (CN) 2007-06-20 EP disclosed