SCHEMBL5310807

SCHEMBL5310807

CC(C)(C)OC(=O)N1CCNC(=O)CC1.O=C(O)N1CCNC(=S)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CRBN Q96SW2 4/20 0.39
DDB1 Q16531 3/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
GPR119 Q8TDV5 2/20 0.35
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.35
NR1H2 P55055 1/20 0.34
HPGD P15428 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
SCHEMBL2206836 0.88 MAPK1 (0.50) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL327562 0.87 MAPK1 (0.51) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL13665326 0.79 HPGD (0.46) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL2206799 0.78 NPSR1 (0.33)
SCHEMBL21233487 0.77 HPGD (0.50) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL1497667 0.77 KMT2A (0.43) CRBNKDM4E
SCHEMBL3524396 0.76 MAPK1 (0.58) MAPK1USP2SMN1; SMN2KDM4EMAPT
SCHEMBL20129368 0.74 KDM4E (0.46) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL190307 0.74 MAPK1 (0.59) MAPK1CRBNDDB1USP2SMN1; SMN2
SCHEMBL31505455 0.74 USP2 (0.51) MAPK1USP2SMN1; SMN2KDM4EMAPT

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-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP disclosed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO disclosed