SCHEMBL2058443

SCHEMBL2058443

CN1C(=O)C(=C/C=C2/SCCN2C)C(=O)N(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.56
MEN1 O00255 11/20 0.56
MAPT P10636 11/20 0.56
ALDH1A1 P00352 9/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 5/20 0.56
MAPK1 P28482 4/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
STAT1 P42224 1/20 0.55
TNNI3 P19429 3/20 0.54
TNNT2 P45379 3/20 0.54
TNNC1 P63316 3/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 3/20 0.44

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
SCHEMBL14279368 1.00 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL2058445 1.00 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240004 0.73 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL19240020 0.73 ALDH1A1 (0.47) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL29959837 0.72 MEN1 (1.00) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL13683582 0.71 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL13683561 0.71 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL13683583 0.71 MEN1 (0.47) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL13683585 0.70 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL13683587 0.70 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1RAB9A

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
US-7968166-B2 Optical recording system HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-06-28 US disclosed
EP-1984920-B1 OPTICAL RECORDING SYSTEM HEWLETT PACKARD DEVELOPMENT CO (US) 2010-04-28 EP disclosed
US-20070179057-A1 OPTICAL RECORDING SYSTEM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-02 US disclosed