SCHEMBL6424320

SCHEMBL6424320

CCOC(=O)C1CCCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)C1.CCOC(=O)C1CCN(c2ncnc3ccc(C=C4SC(=O)NC4=O)cc23)CC1.O=C1NC(=O)C(=Cc2ccc3ncnc(NCc4cccnc4)c3c2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 2/20 0.41
NAMPT P43490 1/20 0.41
MAPK1 P28482 4/20 0.40
PSMD14 O00487 1/20 0.40
HPGD P15428 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
DYRK1A Q13627 2/20 0.39

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
SCHEMBL6071624 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2885173 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2885170 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6254891 0.85 MAPK1 (0.49) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2877194 0.83 MAPK1 (0.57) KMT2AALDH1A1MAPTMAPK1HPGD
SCHEMBL2877196 0.83 MAPK1 (0.57) KMT2AALDH1A1MAPTMAPK1HPGD
SCHEMBL2882489 0.79 HTT (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2882487 0.79 HTT (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL2882765 0.75 DYRK1A (0.52) HPGDNPC1RAB9ADYRK1A
SCHEMBL12975503 0.75 DYRK1A (0.52) HPGDNPC1RAB9ADYRK1A

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-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed