SCHEMBL6866271

SCHEMBL6866271

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC(C)(c3ccccc3)N(C)C)oc(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.66
CTRB1 P17538 7/20 0.66
LCK P06239 1/20 0.37
ACSS2 Q9NR19 1/20 0.35
P2RX7 Q99572 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL6499069 0.84 ELANE (0.68) ELANECTRB1LCKP2RX7BRD9
SCHEMBL6638795 0.83 ELANE (0.61) ELANECTRB1LCKP2RX7NPC1
SCHEMBL7449565 0.81 ELANE (0.58) ELANECTRB1LCKP2RX7
SCHEMBL6641652 0.80 CTRB1 (0.57) ELANECTRB1LCKP2RX7NPC1
SCHEMBL6504148 0.80 ELANE (1.00) ELANECTRB1
SCHEMBL6496719 0.80 ELANE (1.00) ELANECTRB1
SCHEMBL6504081 0.79 ELANE (0.67) ELANECTRB1P2RX7
SCHEMBL6640343 0.79 CTRB1 (0.55) ELANECTRB1MEN1NPC1RAB9A
SCHEMBL6495958 0.78 ELANE (0.78) ELANECTRB1LCK
SCHEMBL6638831 0.78 CTRB1 (0.54) ELANECTRB1P2RX7GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US claimed