SCHEMBL3728067

SCHEMBL3728067

COC(=O)c1oc2ncccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.44
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT1 P42224 1/20 0.42
ADORA3 P0DMS8 1/20 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
SCHEMBL259197 0.90 KDM4E (0.50) KDRMAPTKDM4EALDH1A1CYP11B1
SCHEMBL259344 0.88 KDR (0.50) KDRMAPTKDM4EALDH1A1CYP11B1
SCHEMBL259200 0.87 KDR (0.49) KDRMAPTKDM4EALDH1A1CYP11B1
SCHEMBL259193 0.77 RAB9A (0.53) KDRMAPTKDM4EALDH1A1KMT2A
SCHEMBL259027 0.76 RAB9A (0.44) KDRMAPTKDM4EALDH1A1KMT2A
SCHEMBL259251 0.76 KDM4E (0.58) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13298517 0.76 RAB9A (0.53) KDRMAPTKDM4EALDH1A1KMT2A
SCHEMBL259192 0.76 MAPT (0.56) MAPTALDH1A1KMT2APOLBNPC1
SCHEMBL14581998 0.75 HTT (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL13298528 0.75 MAPT (0.56) MAPTALDH1A1KMT2AMEN1NPC1

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
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed
WO-2010120987-A1 RING FUSED, UREIDOARYL- AND CARBAMOYLARYL-BRIDGED MORPHOLINO-PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-10-21 WO disclosed